BDBM50296934 16alpha-(Methoxymethyl)-17beta-hydroxy-4-methyl-4-aza-5alpha-androst-1-en-3-one::CHEMBL538877

SMILES: COC[C@@H]1C[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=NAZBWHWYNHSOLQ-NLMMLZCASA-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 = 50296934   

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))	BDBM50296934 (16alpha-(Methoxymethyl)-17beta-hydroxy-4-methyl-4-...) Show SMILES COC[C@@H]1C[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:14| Show InChI InChI=1S/C21H33NO3/c1-20-10-8-18(23)22(3)17(20)6-5-14-15(20)7-9-21(2)16(14)11-13(12-25-4)19(21)24/h8,10,13-17,19,24H,5-7,9,11-12H2,1-4H3/t13-,14+,15-,16-,17+,19-,20+,21-/m0/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	3.90E+4	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))	BDBM50296934 (16alpha-(Methoxymethyl)-17beta-hydroxy-4-methyl-4-...) Show SMILES COC[C@@H]1C[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:14| Show InChI InChI=1S/C21H33NO3/c1-20-10-8-18(23)22(3)17(20)6-5-14-15(20)7-9-21(2)16(14)11-13(12-25-4)19(21)24/h8,10,13-17,19,24H,5-7,9,11-12H2,1-4H3/t13-,14+,15-,16-,17+,19-,20+,21-/m0/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	24	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))	BDBM50296934 (16alpha-(Methoxymethyl)-17beta-hydroxy-4-methyl-4-...) Show SMILES COC[C@@H]1C[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:14| Show InChI InChI=1S/C21H33NO3/c1-20-10-8-18(23)22(3)17(20)6-5-14-15(20)7-9-21(2)16(14)11-13(12-25-4)19(21)24/h8,10,13-17,19,24H,5-7,9,11-12H2,1-4H3/t13-,14+,15-,16-,17+,19-,20+,21-/m0/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	612	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