null

SMILES: C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccc(cc1)C(=O)c1ccccc1

InChI Key: InChIKey=NRQSGGOMRNFIAZ-IOSHEFCBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50032760   

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
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50032760 ((4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,...) Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccc(cc1)C(=O)c1ccccc1 |c:12| Show InChI InChI=1S/C32H36N2O3/c1-31-18-16-25-23(12-15-27-32(25,2)19-17-28(35)34-27)24(31)13-14-26(31)30(37)33-22-10-8-21(9-11-22)29(36)20-6-4-3-5-7-20/h3-11,17,19,23-27H,12-16,18H2,1-2H3,(H,33,37)(H,34,35)/t23?,24?,25?,26?,27?,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human Steroid 5-alpha-reductase type 2				J Med Chem 38: 3189-92 (1995) BindingDB Entry DOI: 10.7270/Q2G161G8
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50032760 ((4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,...) Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccc(cc1)C(=O)c1ccccc1 |c:12| Show InChI InChI=1S/C32H36N2O3/c1-31-18-16-25-23(12-15-27-32(25,2)19-17-28(35)34-27)24(31)13-14-26(31)30(37)33-22-10-8-21(9-11-22)29(36)20-6-4-3-5-7-20/h3-11,17,19,23-27H,12-16,18H2,1-2H3,(H,33,37)(H,34,35)/t23?,24?,25?,26?,27?,31-,32+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human Steroid 5-alpha-reductase type I				J Med Chem 38: 3189-92 (1995) BindingDB Entry DOI: 10.7270/Q2G161G8
					More data for this Ligand-Target Pair