BDBM50296939 16-(Methylmethylidene)-17beta-hydroxy-4-methyl-4-aza-5alpha-androst-1-en-3-one::CHEMBL557116

SMILES: C\C=C1/C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O

InChI Key: InChIKey=YIGOKHBZLOAEQX-IRBKXZKHSA-N

Data: 1 KI  1 IC50  1 EC50

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 = 50296939   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296939 (16-(Methylmethylidene)-17beta-hydroxy-4-methyl-4-a...) Show SMILES C\C=C1/C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O |r,c:13| Show InChI InChI=1S/C21H31NO2/c1-5-13-12-16-14-6-7-17-20(2,11-9-18(23)22(17)4)15(14)8-10-21(16,3)19(13)24/h5,9,11,14-17,19,24H,6-8,10,12H2,1-4H3/b13-5+/t14-,15+,16+,17-,19+,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG potassium channel				J Med Chem 52: 4578-81 (2009) Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50296939 (16-(Methylmethylidene)-17beta-hydroxy-4-methyl-4-a...) Show SMILES C\C=C1/C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O |r,c:13| Show InChI InChI=1S/C21H31NO2/c1-5-13-12-16-14-6-7-17-20(2,11-9-18(23)22(17)4)15(14)8-10-21(16,3)19(13)24/h5,9,11,14-17,19,24H,6-8,10,12H2,1-4H3/b13-5+/t14-,15+,16+,17-,19+,20-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]methyltrienolone from androgen receptor in human MDA-MB-453 cells				J Med Chem 52: 4578-81 (2009) Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50296939 (16-(Methylmethylidene)-17beta-hydroxy-4-methyl-4-a...) Show SMILES C\C=C1/C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O |r,c:13| Show InChI InChI=1S/C21H31NO2/c1-5-13-12-16-14-6-7-17-20(2,11-9-18(23)22(17)4)15(14)8-10-21(16,3)19(13)24/h5,9,11,14-17,19,24H,6-8,10,12H2,1-4H3/b13-5+/t14-,15+,16+,17-,19+,20-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in human MDA-MB-453 cells transfected with MMTV-LUC assessed as induction of MMTV-LTR/promoter linked LUC gene ...				J Med Chem 52: 4578-81 (2009) Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ
					More data for this Ligand-Target Pair