BDBM50595595 CHEMBL5180458

SMILES Cc1c(cc(o1)CN(C)C(=O)CCc2nc(no2)C3CC3)C(=O)O

InChI Key InChIKey=QFOSACYCLBYVKP-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50595595   

TargetAldo-keto reductase family 1 member C3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50595595BDBM50595595(CHEMBL5180458)
Affinity DataIC50: 200nMAssay Description:Inhibition of human recombinant AKR1C3 transfected in Escherichia coli BL21 (DE3) pLysS competent cells assessed as inhibition of NADP+ dependent oxi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50595595BDBM50595595(CHEMBL5180458)
Affinity DataIC50: 5.71E+3nMAssay Description:Inhibition of human recombinant AKR1C2 transfected in Escherichia coli BL21 (DE3) pLysS competent cells assessed as inhibition of NADP+ dependent oxi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50595595BDBM50595595(CHEMBL5180458)
Affinity DataIC50: 1.12E+4nMAssay Description:Inhibition of human recombinant AKR1C1 transfected in Escherichia coli BL21 (DE3) pLysS competent cells assessed as inhibition of NADP+ dependent oxi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C4(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50595595BDBM50595595(CHEMBL5180458)
Affinity DataIC50: 3.96E+4nMAssay Description:Inhibition of human recombinant AKR1C4 transfected in Escherichia coli BL21 (DE3) pLysS competent cells assessed as inhibition of NADP+ dependent oxi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed