BDBM50512456 CHEMBL4469414

SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12

InChI Key InChIKey=PMQUGSPFUBGJCZ-UHFFFAOYSA-N

Data  2 KI  15 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50512456   

TargetCytochrome P450 2C19(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin) preincubated for 10 mins followed by addition of MFC as substrate measured after 30 mins in presence of NADP b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of human recombinant MPS1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetDual specificity protein kinase TTK(Human)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataIC50: 116nMAssay Description:Inhibition of MPS1 in human HeLa cells assessed as reduction in spindle assembly checkpoint incubated for 4 hrs by p-histone H3/Hoechst 33342 stainin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of GST-tagged recombinant human MPS1 expressed in baculovirus expression system using biotin-Ahx-PWDPDDADITEILG as substrate preincubated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of GST-tagged recombinant human MPS1 expressed in baculovirus expression system using biotin-Ahx-PWDPDDADITEILG as substrate preincubated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) preincubated for 10 mins followed by addition of DBF as substrate measured after 10 mins in presence of NADP by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataIC50: 510nMAssay Description:Inhibition of CYP3A4 (unknown origin) preincubated for 10 mins followed by addition of BFC as substrate measured after 10 mins in presence of NADP by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of MPS1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) preincubated for 10 mins followed by addition of DBF as substrate measured after 10 mins in presence of NADP by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataIC50: 510nMAssay Description:Inhibition of CYP3A4 (unknown origin) preincubated for 10 mins followed by addition of BFC as substrate measured after 10 mins in presence of NADP by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin) preincubated for 10 mins followed by addition of MFC as substrate measured after 30 mins in presence of NADP b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin) preincubated for 10 mins followed by addition of MFC as substrate measured after 45 mins in presence of NADP by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin) preincubated for 10 mins followed by addition of MFC as substrate measured after 45 mins in presence of NADP by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataKi:  0.100nMAssay Description:Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50512456(CHEMBL4469414)
Affinity DataKi:  0.100nMAssay Description:Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed