null

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

InChI Key: InChIKey=RNYDPMFXJQGJJP-GXSBFMHBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50032758   

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))	BDBM50032758 ((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(F)(F)F |c:12| Show InChI InChI=1S/C26H31F3N2O2/c1-24-13-11-19-17(7-10-21-25(19,2)14-12-22(32)31-21)18(24)8-9-20(24)23(33)30-16-5-3-15(4-6-16)26(27,28)29/h3-6,12,14,17-21H,7-11,13H2,1-2H3,(H,30,33)(H,31,32)/t17?,18?,19?,20?,21?,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	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))	BDBM50032758 ((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(F)(F)F |c:12| Show InChI InChI=1S/C26H31F3N2O2/c1-24-13-11-19-17(7-10-21-25(19,2)14-12-22(32)31-21)18(24)8-9-20(24)23(33)30-16-5-3-15(4-6-16)26(27,28)29/h3-6,12,14,17-21H,7-11,13H2,1-2H3,(H,30,33)(H,31,32)/t17?,18?,19?,20?,21?,24-,25+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	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