BDBM50031876 (4aR,6aS,7S)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid [1-(4-chloro-phenyl)-cyclopentyl]-amide::CHEMBL420415

SMILES: C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)NC1(CCCC1)c1ccc(Cl)cc1

InChI Key: InChIKey=JQKANSBWFRBIRJ-NNIJWKEASA-N

Data: 2 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 2 hits for monomerid = 50031876   

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
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50031876 ((4aR,6aS,7S)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7...) Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)NC1(CCCC1)c1ccc(Cl)cc1 |c:12| Show InChI InChI=1S/C30H39ClN2O2/c1-28-17-13-23-21(9-12-25-29(23,2)18-14-26(34)32-25)22(28)10-11-24(28)27(35)33-30(15-3-4-16-30)19-5-7-20(31)8-6-19/h5-8,14,18,21-25H,3-4,9-13,15-17H2,1-2H3,(H,32,34)(H,33,35)/t21?,22?,23?,24-,25?,28+,29-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Steroid 5-alpha-reductase type I was evaluated as binding affinity of the compound				J Med Chem 38: 2621-7 (1995) BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50031876 ((4aR,6aS,7S)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7...) Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)NC1(CCCC1)c1ccc(Cl)cc1 |c:12| Show InChI InChI=1S/C30H39ClN2O2/c1-28-17-13-23-21(9-12-25-29(23,2)18-14-26(34)32-25)22(28)10-11-24(28)27(35)33-30(15-3-4-16-30)19-5-7-20(31)8-6-19/h5-8,14,18,21-25H,3-4,9-13,15-17H2,1-2H3,(H,32,34)(H,33,35)/t21?,22?,23?,24-,25?,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibitory activity measured on human steroid 5-alpha-reductase type 2				J Med Chem 38: 2621-7 (1995) BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair