Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50076688'   

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))	BDBM50076688 (CHEMBL266473 | trans-7-Ethyl-4-trifluoromethyl-5,6...) Show SMILES CCC1CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F Show InChI InChI=1S/C15H14F3NO2/c1-2-9-4-3-8-5-10-11(15(16,17)18)6-14(20)21-13(10)7-12(8)19-9/h5-7,9,19H,2-4H2,1H3	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 binding affinity at human androgen receptor transfected into COS 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))	BDBM50076688 (CHEMBL266473 | trans-7-Ethyl-4-trifluoromethyl-5,6...) Show SMILES CCC1CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F Show InChI InChI=1S/C15H14F3NO2/c1-2-9-4-3-8-5-10-11(15(16,17)18)6-14(20)21-13(10)7-12(8)19-9/h5-7,9,19H,2-4H2,1H3	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 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))	BDBM50076688 (CHEMBL266473 | trans-7-Ethyl-4-trifluoromethyl-5,6...) Show SMILES CCC1CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F Show InChI InChI=1S/C15H14F3NO2/c1-2-9-4-3-8-5-10-11(15(16,17)18)6-14(20)21-13(10)7-12(8)19-9/h5-7,9,19H,2-4H2,1H3	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	7	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity at human androgen receptor transfected into COS cells.				Bioorg Med Chem Lett 9: 1003-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9PM8
					More data for this Ligand-Target Pair