BDBM50034142 CHEMBL16863::N-(3,3-Dimethyl-butyl)-N-((4aR,6aS,7S,11aR)-1,4a,6a-trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinolin-7-yl)-formamide

SMILES: CN1[C@@H]2CCC3C4CC[C@H](N(CCC(C)(C)C)C=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O

InChI Key: InChIKey=HAPCTYIHYYGVQQ-AXXVANDLSA-N

Data: 3 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 3 hits for monomerid = 50034142   

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))	BDBM50034142 (CHEMBL16863 | N-(3,3-Dimethyl-butyl)-N-((4aR,6aS,7...) Show SMILES CN1[C@@H]2CCC3C4CC[C@H](N(CCC(C)(C)C)C=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O Show InChI InChI=1S/C26H44N2O2/c1-24(2,3)15-16-28(17-29)22-10-8-19-18-7-9-21-25(4,14-12-23(30)27(21)6)20(18)11-13-26(19,22)5/h17-22H,7-16H2,1-6H3/t18?,19?,20?,21-,22+,25-,26+/m1/s1	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
CHUL Research Center Curated by ChEMBL					Assay Description In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells				J Med Chem 38: 1158-73 (1995) BindingDB Entry DOI: 10.7270/Q2NG4R90
					More data for this Ligand-Target Pair
Androgen Receptor (Mus musculus)	BDBM50034142 (CHEMBL16863 | N-(3,3-Dimethyl-butyl)-N-((4aR,6aS,7...) Show SMILES CN1[C@@H]2CCC3C4CC[C@H](N(CCC(C)(C)C)C=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O Show InChI InChI=1S/C26H44N2O2/c1-24(2,3)15-16-28(17-29)22-10-8-19-18-7-9-21-25(4,14-12-23(30)27(21)6)20(18)11-13-26(19,22)5/h17-22H,7-16H2,1-6H3/t18?,19?,20?,21-,22+,25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
CHUL Research Center Curated by ChEMBL					Assay Description In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells				J Med Chem 38: 1158-73 (1995) BindingDB Entry DOI: 10.7270/Q2NG4R90
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50034142 (CHEMBL16863 | N-(3,3-Dimethyl-butyl)-N-((4aR,6aS,7...) Show SMILES CN1[C@@H]2CCC3C4CC[C@H](N(CCC(C)(C)C)C=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O Show InChI InChI=1S/C26H44N2O2/c1-24(2,3)15-16-28(17-29)22-10-8-19-18-7-9-21-25(4,14-12-23(30)27(21)6)20(18)11-13-26(19,22)5/h17-22H,7-16H2,1-6H3/t18?,19?,20?,21-,22+,25-,26+/m1/s1	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
CHUL Research Center Curated by ChEMBL					Assay Description In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells				J Med Chem 38: 1158-73 (1995) BindingDB Entry DOI: 10.7270/Q2NG4R90
					More data for this Ligand-Target Pair