BDBM50396687 CHEMBL2172063

SMILES: OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc2cc3ccccc3cc2c1

InChI Key: InChIKey=NVUYTSUMYCCEEU-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50396687   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50396687 (CHEMBL2172063) Show SMILES OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc2cc3ccccc3cc2c1 Show InChI InChI=1S/C20H19NO4S/c22-20(23)17-6-3-9-21(13-17)26(24,25)19-8-7-16-10-14-4-1-2-5-15(14)11-18(16)12-19/h1-2,4-5,7-8,10-12,17H,3,6,9,13H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C1 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...				J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C4 (AK1C4) (Homo sapiens (Human))	BDBM50396687 (CHEMBL2172063) Show SMILES OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc2cc3ccccc3cc2c1 Show InChI InChI=1S/C20H19NO4S/c22-20(23)17-6-3-9-21(13-17)26(24,25)19-8-7-16-10-14-4-1-2-5-15(14)11-18(16)12-19/h1-2,4-5,7-8,10-12,17H,3,6,9,13H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...				J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F
					More data for this Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human))	BDBM50396687 (CHEMBL2172063) Show SMILES OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc2cc3ccccc3cc2c1 Show InChI InChI=1S/C20H19NO4S/c22-20(23)17-6-3-9-21(13-17)26(24,25)19-8-7-16-10-14-4-1-2-5-15(14)11-18(16)12-19/h1-2,4-5,7-8,10-12,17H,3,6,9,13H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	389	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human))	BDBM50396687 (CHEMBL2172063) Show SMILES OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc2cc3ccccc3cc2c1 Show InChI InChI=1S/C20H19NO4S/c22-20(23)17-6-3-9-21(13-17)26(24,25)19-8-7-16-10-14-4-1-2-5-15(14)11-18(16)12-19/h1-2,4-5,7-8,10-12,17H,3,6,9,13H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...				J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F
					More data for this Ligand-Target Pair
Aldo-keto-reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396687 (CHEMBL2172063) Show SMILES OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc2cc3ccccc3cc2c1 Show InChI InChI=1S/C20H19NO4S/c22-20(23)17-6-3-9-21(13-17)26(24,25)19-8-7-16-10-14-4-1-2-5-15(14)11-18(16)12-19/h1-2,4-5,7-8,10-12,17H,3,6,9,13H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50396687 (CHEMBL2172063) Show SMILES OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc2cc3ccccc3cc2c1 Show InChI InChI=1S/C20H19NO4S/c22-20(23)17-6-3-9-21(13-17)26(24,25)19-8-7-16-10-14-4-1-2-5-15(14)11-18(16)12-19/h1-2,4-5,7-8,10-12,17H,3,6,9,13H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...				J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F
					More data for this Ligand-Target Pair