Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50076699'   

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))	BDBM50076699 (CHEMBL269305 | cis-7-Ethyl-5-methyl-4-trifluoromet...) Show SMILES CCC1CC(C)c2cc3c(cc(=O)oc3cc2N1)C(F)(F)F Show InChI InChI=1S/C16H16F3NO2/c1-3-9-4-8(2)10-5-11-12(16(17,18)19)6-15(21)22-14(11)7-13(10)20-9/h5-9,20H,3-4H2,1-2H3	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))	BDBM50076699 (CHEMBL269305 | cis-7-Ethyl-5-methyl-4-trifluoromet...) Show SMILES CCC1CC(C)c2cc3c(cc(=O)oc3cc2N1)C(F)(F)F Show InChI InChI=1S/C16H16F3NO2/c1-3-9-4-8(2)10-5-11-12(16(17,18)19)6-15(21)22-14(11)7-13(10)20-9/h5-9,20H,3-4H2,1-2H3	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	11	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))	BDBM50076699 (CHEMBL269305 | cis-7-Ethyl-5-methyl-4-trifluoromet...) Show SMILES CCC1CC(C)c2cc3c(cc(=O)oc3cc2N1)C(F)(F)F Show InChI InChI=1S/C16H16F3NO2/c1-3-9-4-8(2)10-5-11-12(16(17,18)19)6-15(21)22-14(11)7-13(10)20-9/h5-9,20H,3-4H2,1-2H3	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	8	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