BDBM50406350 CHEMBL2110261

SMILES: CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CCC4=C[C@@](O)(CC[C@]4(C)C3CC[C@]12C)C(O)=O

InChI Key: InChIKey=KESAVSDRFTYUOI-KKNRQBPESA-N

Data: 2 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 2 hits for monomerid = 50406350   

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
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50406350 (CHEMBL2110261) Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CCC4=C[C@@](O)(CC[C@]4(C)C3CC[C@]12C)C(O)=O |t:16| Show InChI InChI=1S/C27H43NO4/c1-16(2)28(17(3)4)23(29)22-10-9-20-19-8-7-18-15-27(32,24(30)31)14-13-25(18,5)21(19)11-12-26(20,22)6/h15-17,19-22,32H,7-14H2,1-6H3,(H,30,31)/t19?,20?,21?,22-,25+,26+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Steroid 5-alpha-reductase in human prostatic tissue.				J Med Chem 33: 943-50 (1990) BindingDB Entry DOI: 10.7270/Q25D8QSB
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50406350 (CHEMBL2110261) Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CCC4=C[C@@](O)(CC[C@]4(C)C3CC[C@]12C)C(O)=O |t:16| Show InChI InChI=1S/C27H43NO4/c1-16(2)28(17(3)4)23(29)22-10-9-20-19-8-7-18-15-27(32,24(30)31)14-13-25(18,5)21(19)11-12-26(20,22)6/h15-17,19-22,32H,7-14H2,1-6H3,(H,30,31)/t19?,20?,21?,22-,25+,26+,27+/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates.				J Med Chem 33: 943-50 (1990) BindingDB Entry DOI: 10.7270/Q25D8QSB
					More data for this Ligand-Target Pair