Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50403735'   

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))	BDBM50403735 (CHEMBL2113248) Show SMILES CC(C)C[C@@H]1[C@@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C18H21F3N2O/c1-9(2)4-11-10(3)8-22-15-7-16-13(5-12(11)15)14(18(19,20)21)6-17(24)23-16/h5-7,9-11,22H,4,8H2,1-3H3,(H,23,24)/t10-,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	72	n/a	n/a	n/a	n/a	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
Androgen receptor (Homo sapiens (Human))	BDBM50403735 (CHEMBL2113248) Show SMILES CC(C)C[C@@H]1[C@@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C18H21F3N2O/c1-9(2)4-11-10(3)8-22-15-7-16-13(5-12(11)15)14(18(19,20)21)6-17(24)23-16/h5-7,9-11,22H,4,8H2,1-3H3,(H,23,24)/t10-,11+/m0/s1	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	29	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))	BDBM50403735 (CHEMBL2113248) Show SMILES CC(C)C[C@@H]1[C@@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C18H21F3N2O/c1-9(2)4-11-10(3)8-22-15-7-16-13(5-12(11)15)14(18(19,20)21)6-17(24)23-16/h5-7,9-11,22H,4,8H2,1-3H3,(H,23,24)/t10-,11+/m0/s1	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	56	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity to the human androgen receptor (hAR) in CV-1 cells				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair