Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50076687'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Androgen receptor (Homo sapiens (Human))	BDBM50076687 (5-Methyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-ox...) Show SMILES CC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C14H12F3NO2/c1-7-2-3-18-11-6-12-9(4-8(7)11)10(14(15,16)17)5-13(19)20-12/h4-7,18H,2-3H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active.				Bioorg Med Chem Lett 9: 1003-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9PM8
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076687 (5-Methyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-ox...) Show SMILES CC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C14H12F3NO2/c1-7-2-3-18-11-6-12-9(4-8(7)11)10(14(15,16)17)5-13(19)20-12/h4-7,18H,2-3H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description In vitro antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cells				Bioorg Med Chem Lett 9: 1003-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9PM8
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50076687 (5-Methyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-ox...) Show SMILES CC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C14H12F3NO2/c1-7-2-3-18-11-6-12-9(4-8(7)11)10(14(15,16)17)5-13(19)20-12/h4-7,18H,2-3H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description In vitro agonistic activity against human androgen receptor using cotransfection assay in CV-1 cells.				Bioorg Med Chem Lett 9: 1003-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9PM8
					More data for this Ligand-Target Pair