BDBM50409816 ABAMECTIN

SMILES CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C

InChI Key InChIKey=AZSNMRSAGSSBNP-UHFFFAOYSA-N

Data  3 KI  22 IC50  1 Kd

PDB links: 14 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50409816   

TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 2(Rat)
Albert-Ludwigs-University of Freiburg

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 6.72E+3nMAssay Description:Inhibition of Wistar rat heart SERCA2a after 1 hrMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2016
Entry Details Article
PubMed
TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 1(Rabbit)
University of Chemistry and Technology Prague

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of rabbit SERCA1a preincubated for 10 mins followed by addition of ATP and measured after 10 mins by colorimetric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetChaperonin GroEL(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
Target60 kDa heat shock protein, mitochondrial(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 9.50E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetThiosulfate sulfurtransferase(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Institute of Parasitology of Mcgill University

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataKd:  11nMAssay Description:TP_TRANSPORTER: binding in plasma membranes from CEM/VLB1.0 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2019
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Institute of Parasitology of Mcgill University

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 100nMAssay Description:TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Institute of Parasitology of Mcgill University

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 100nMAssay Description:Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Institute of Parasitology of Mcgill University

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 200nMAssay Description:Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCECMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetMultidrug resistance-associated protein 1(Human)
Laboratoire De Pharmacologie-Toxicologie Inra

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 9.00E+3nMAssay Description:TP_TRANSPORTER: inhibition of ATPase activity in Sf9 cells (membrane vesicles)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetATP-binding cassette sub-family C member 2(Human)
Laboratoire De Pharmacologie-Toxicologie Inra

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 1.80E+4nMAssay Description:TP_TRANSPORTER: inhibition of ATPase activity in Sf9 cells (membrane vesicles)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetMultidrug resistance-associated protein 1(Human)
Laboratoire De Pharmacologie-Toxicologie Inra

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 3.80E+3nMAssay Description:TP_TRANSPORTER: inhibition of Calcein-AM transport in HL60-MRP1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2016
Entry Details Article
PubMed
TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 1(Rat)
Albert-Ludwigs-University of Freiburg

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 1.69E+4nMAssay Description:Inhibition of Wistar rat EDL muscle SERCA1a after 1 hrMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2016
Entry Details Article
PubMed
TargetSodium/potassium-transporting ATPase subunit alpha-1(Rat)
Albert-Ludwigs-University of Freiburg

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: 8.23E+3nMAssay Description:Inhibition of Wistar rat kidney Na+,K+-ATPase alpha1 after 2 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2016
Entry Details Article
PubMed
TargetMultidrug resistance-associated protein 1(Human)
Laboratoire De Pharmacologie-Toxicologie Inra

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataKi:  500nMAssay Description:TP_TRANSPORTER: inhibition of ATPase activity in Sf9 cells (membrane vesicles)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetGenome polyprotein(DENV-2)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataKi:  7.90E+4nMAssay Description:Inhibition of DENV2 NS2B-NS3 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetGenome polyprotein(DENV-2)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataKi:  7.90E+4nMAssay Description:Binding affinity to DENV2 NS2B/NS3 protease assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed