BDBM50031887 (1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid (4-tert-butyl-4'-chloro-biphenyl-3-yl)-amide::CHEMBL328670

SMILES: CC(C)(C)c1ccc(cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)-c1ccc(Cl)cc1

InChI Key: InChIKey=IACSLBNRPNTPFY-PAMNWJKDSA-N

Data: 1 KI

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 1 hit for monomerid = 50031887   

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))	BDBM50031887 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES CC(C)(C)c1ccc(cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)-c1ccc(Cl)cc1 |t:20| Show InChI InChI=1S/C35H43ClN2O2/c1-33(2,3)28-11-8-22(21-6-9-23(36)10-7-21)18-30(28)38-32(40)29-13-12-26-25-20-37-31-19-24(39)14-16-35(31,5)27(25)15-17-34(26,29)4/h6-11,18,25-27,29H,12-17,19-20H2,1-5H3,(H,38,40)/t25?,26?,27?,29-,34+,35-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40	n/a	n/a	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				J Med Chem 38: 2621-7 (1995) BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair