Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50077094'   

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))	BDBM50077094 (6-Ethyl-1,9-dimethyl-4-trifluoromethyl-6,7,8,9-tet...) Show SMILES CCC1CCN(C)c2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-4-10-5-6-21(2)14-9-15-12(7-11(10)14)13(17(18,19)20)8-16(23)22(15)3/h7-10H,4-6H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	263	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) in CV-1 cells was determined as a function of maximal inhibition of dihydrotestosterone u...				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077094 (6-Ethyl-1,9-dimethyl-4-trifluoromethyl-6,7,8,9-tet...) Show SMILES CCC1CCN(C)c2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-4-10-5-6-21(2)14-9-15-12(7-11(10)14)13(17(18,19)20)8-16(23)22(15)3/h7-10H,4-6H2,1-3H3	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	216	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077094 (6-Ethyl-1,9-dimethyl-4-trifluoromethyl-6,7,8,9-tet...) Show SMILES CCC1CCN(C)c2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-4-10-5-6-21(2)14-9-15-12(7-11(10)14)13(17(18,19)20)8-16(23)22(15)3/h7-10H,4-6H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair