null

SMILES: COc1ncc(\C=C2/C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1

InChI Key: InChIKey=ZTDAUYAGQDTMES-NTRGXQNNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50296945   

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))	BDBM50296945 (16-[(2-Methoxypyrimidin-5-yl)methylidene]-17beta-h...) Show SMILES COc1ncc(\C=C2/C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 |r,c:18| Show InChI InChI=1S/C25H33N3O3/c1-24-10-8-21(29)28(3)20(24)6-5-17-18(24)7-9-25(2)19(17)12-16(22(25)30)11-15-13-26-23(31-4)27-14-15/h8,10-11,13-14,17-20,22,30H,5-7,9,12H2,1-4H3/b16-11+/t17-,18+,19+,20-,22+,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90E+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))	BDBM50296945 (16-[(2-Methoxypyrimidin-5-yl)methylidene]-17beta-h...) Show SMILES COc1ncc(\C=C2/C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 |r,c:18| Show InChI InChI=1S/C25H33N3O3/c1-24-10-8-21(29)28(3)20(24)6-5-17-18(24)7-9-25(2)19(17)12-16(22(25)30)11-15-13-26-23(31-4)27-14-15/h8,10-11,13-14,17-20,22,30H,5-7,9,12H2,1-4H3/b16-11+/t17-,18+,19+,20-,22+,24-,25+/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	11	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))	BDBM50296945 (16-[(2-Methoxypyrimidin-5-yl)methylidene]-17beta-h...) Show SMILES COc1ncc(\C=C2/C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 |r,c:18| Show InChI InChI=1S/C25H33N3O3/c1-24-10-8-21(29)28(3)20(24)6-5-17-18(24)7-9-25(2)19(17)12-16(22(25)30)11-15-13-26-23(31-4)27-14-15/h8,10-11,13-14,17-20,22,30H,5-7,9,12H2,1-4H3/b16-11+/t17-,18+,19+,20-,22+,24-,25+/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	2	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