Compile Data Set for Download or QSAR
Report error Found 69 Enz. Inhib. hit(s) with all data for entry = 50019492
TargetBile acid receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM21675(6alpha-Ethyl-Chenodeoxycholic Acid | (4R)-4-[(1S,2...)
Affinity DataEC50:  99nMAssay Description:Agonist activity at FXR (unknown origin) by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetMelanocortin receptor 4(Rat)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50581319(Setmelanotide | BIM-22493 | RM-493 | SETMELANOTIDE)
Affinity DataEC50:  0.280nMAssay Description:Inhibition of rat MC4RMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetMelanocortin receptor 4(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50581319(Setmelanotide | BIM-22493 | RM-493 | SETMELANOTIDE)
Affinity DataEC50:  0.270nMAssay Description:Inhibition of human MC4RMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetHistamine H3 receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50247053(Tiprolisant | 1-(3-(3-(4-chlorophenyl)propoxy)prop...)
Affinity DataEC50:  1.5nMAssay Description:Inverse agonist activity at human H3RMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetTransthyretin(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50197883(CHEBI:78538 | FX-1006 | Tafamidis | Vyndaqel | US1...)
Affinity DataEC50:  2.70nMAssay Description:Inhibition of TTR V122I mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetTransthyretin(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50197883(CHEBI:78538 | FX-1006 | Tafamidis | Vyndaqel | US1...)
Affinity DataEC50:  2.70nMAssay Description:Inhibition of TTR V30M mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetTransthyretin(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50197883(CHEBI:78538 | FX-1006 | Tafamidis | Vyndaqel | US1...)
Affinity DataEC50:  2.70nMAssay Description:Inhibition of wild type TTR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
LigandPNGBDBM50403068(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Affinity DataEC50:  8nMAssay Description:Inhibition of PI3Kdelta in anti-FceRI-stimulated human Basophil cells degranulationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCystic fibrosis transmembrane conductance regulator(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  100nMAssay Description:Inhibition of CFTR G551D mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCystic fibrosis transmembrane conductance regulator(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  25nMAssay Description:Inhibition of CFTR F508 deletion mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCystic fibrosis transmembrane conductance regulator(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50032694(CHEMBL3354672)
Affinity DataEC50:  2.10nMAssay Description:Inhibition of CFTR F508 deletion mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetMethionine synthase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50098320(9-(4-{4-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-...)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of MTR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 11B2, mitochondrial(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of recombinant human CYP11B2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | US9181263, 1 | US9108973, Ref 1 | US92...)
Affinity DataIC50: 0.720nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM27566(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)
Affinity DataIC50: 1nMAssay Description:Inhibition of PARP2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetB2 bradykinin receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50403371(Firazyr | HOE-140 | ICATIBANT)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of B2R (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetGTPase HRas(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50063453(1-[4-((S)-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclo...)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of H-Ras (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetMethionine synthase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126204(2-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-2,3-dih...)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of MTR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 11B1, mitochondrial(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of recombinant human CYP11B1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50355501(RUXOLITINIB PHOSPHATE | INCB-018424 | RUXOLITINIB ...)
Affinity DataIC50: 2.80nMAssay Description:Inhibition of JAK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50355501(RUXOLITINIB PHOSPHATE | INCB-018424 | RUXOLITINIB ...)
Affinity DataIC50: 3.30nMAssay Description:Inhibition of JAK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetHistone-lysine N-methyltransferase EZH2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM172038(US10647700, Compound EPZ6438 | BDBM190183 | US1015...)
Affinity DataIC50: 4nMAssay Description:Inhibition of Ezh2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM27566(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)
Affinity DataIC50: 5nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetGTPase KRas(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50063453(1-[4-((S)-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclo...)
Affinity DataIC50: 5.20nMAssay Description:Inhibition of K-Ras (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetHigh affinity nerve growth factor receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM136597(US8865698, 14 | US10047097, 14 | US9676783, 14 | U...)
Affinity DataIC50: 6.5nMAssay Description:Inhibition of TRKA (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetHepatocyte growth factor receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50306682((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Affinity DataIC50: 8nMAssay Description:Inhibition of c-Met (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetBDNF/NT-3 growth factors receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM136597(US8865698, 14 | US10047097, 14 | US9676783, 14 | U...)
Affinity DataIC50: 8.10nMAssay Description:Inhibition of TRKB (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetTyrosine-protein kinase BTK(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50388180(CHEMBL2057912)
Affinity DataIC50: 8.20nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetHepatocyte growth factor receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50619730(CHEMBL5410219)
Affinity DataIC50: 9nMAssay Description:Inhibition of c-Met (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetMast/stem cell growth factor receptor Kit(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50177716(CHEMBL3813873 | US11679110, Compound Pexidartinib ...)
Affinity DataIC50: 10nMAssay Description:Inhibition of KIT (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetNT-3 growth factor receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM136597(US8865698, 14 | US10047097, 14 | US9676783, 14 | U...)
Affinity DataIC50: 11nMAssay Description:Inhibition of TRKC (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetVascular endothelial growth factor receptor 3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50026612(BIBF-1120 | Nintedanib | Vargatef | US10981896, Co...)
Affinity DataIC50: 13nMAssay Description:Inhibition of GST-tagged VEGFR3 CD (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50396483(PLX-4032 | RG 7204 | Ro 5185426 | VEMURAFENIB | US...)
Affinity DataIC50: 13nMAssay Description:Inhibition of wild type N-terminal 6His-tagged BRAF V600E mutant (unknown origin) (D448 to K723 residues) expressed in baculovirus expression system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetVascular endothelial growth factor receptor 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50026612(BIBF-1120 | Nintedanib | Vargatef | US10981896, Co...)
Affinity DataIC50: 13nMAssay Description:Inhibition of GST-tagged VEGFR2 KD (unknown origin) expressed in using baculovirus expression system using Poly-(Glu,Tyr 4:1) peptide as a substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetVascular endothelial growth factor receptor 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50026612(BIBF-1120 | Nintedanib | Vargatef | US10981896, Co...)
Affinity DataIC50: 13nMAssay Description:Inhibition of GST-tagged VEGFR1 CD (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetExportin-1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50619732(CHEMBL3898452)
Affinity DataIC50: 16nMAssay Description:Inhibition of XPO1 in human HPBALL cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
LigandPNGBDBM50403068(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Affinity DataIC50: 19nMAssay Description:Inhibition of PI3Kdelta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMacrophage colony-stimulating factor 1 receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50177716(CHEMBL3813873 | US11679110, Compound Pexidartinib ...)
Affinity DataIC50: 20nMAssay Description:Inhibition of CSF1R (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetALK tyrosine kinase receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50306682((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Affinity DataIC50: 20nMAssay Description:Inhibition of ALK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetExportin-1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50527778(KPT-330 | Selinexor | Xpovio | US20240376114, Comp...)
Affinity DataIC50: 34nMAssay Description:Inhibition of XPO1 in human MOLT-16 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetFibroblast growth factor receptor 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50026612(BIBF-1120 | Nintedanib | Vargatef | US10981896, Co...)
Affinity DataIC50: 37nMAssay Description:Inhibition of FGFR2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetFibroblast growth factor receptor 3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50026612(BIBF-1120 | Nintedanib | Vargatef | US10981896, Co...)
Affinity DataIC50: 37nMAssay Description:Inhibition of GST-tagged FGFR3 CD (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetFibroblast growth factor receptor 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50026612(BIBF-1120 | Nintedanib | Vargatef | US10981896, Co...)
Affinity DataIC50: 37nMAssay Description:Inhibition of GST-tagged FGFR2 CD (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetFibroblast growth factor receptor 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50026612(BIBF-1120 | Nintedanib | Vargatef | US10981896, Co...)
Affinity DataIC50: 37nMAssay Description:Inhibition of GST-tagged FGFR1 CD (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetGTPase KRas(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM14459((+)-4-[2-[4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H...)
Affinity DataIC50: 40nMAssay Description:Inhibition of K-Ras in human NCI-H460 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetTyrosine-protein kinase SYK(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50431381(R-788 Free acid | R-935788 Free acid | FOSTAMATINI...)
Affinity DataIC50: 41nMAssay Description:Inhibition of SYK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetHistone-lysine N-methyltransferase EZH2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50075051(CHEMBL3360855 | US9175331, 7 | EPZ005687 | US96374...)
Affinity DataIC50: 54nMAssay Description:Inhibition of Ezh2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetExportin-1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50527778(KPT-330 | Selinexor | Xpovio | US20240376114, Comp...)
Affinity DataIC50: 55nMAssay Description:Inhibition of XPO1 in human HPBALL cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50026612(BIBF-1120 | Nintedanib | Vargatef | US10981896, Co...)
Affinity DataIC50: 59nMAssay Description:Inhibition of GST-tagged PDGFRalpha CD (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor beta(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50026612(BIBF-1120 | Nintedanib | Vargatef | US10981896, Co...)
Affinity DataIC50: 59nMAssay Description:Inhibition of GST-tagged PDGFRbeta CD (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
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