Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50529674'   

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))	BDBM50529674 (CHEMBL4460567) Show SMILES C[C@](O)(Cn1ccc2cc(F)c(cc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H19F4N3O2/c1-25(35,24(34)32-19-8-7-18(14-31)21(12-19)26(28,29)30)15-33-10-9-17-11-22(27)20(13-23(17)33)16-5-3-2-4-6-16/h2-13,35H,15H2,1H3,(H,32,34)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting a...				J Med Chem 62: 491-511 (2019) Article DOI: 10.1021/acs.jmedchem.8b00973 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529674 (CHEMBL4460567) Show SMILES C[C@](O)(Cn1ccc2cc(F)c(cc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H19F4N3O2/c1-25(35,24(34)32-19-8-7-18(14-31)21(12-19)26(28,29)30)15-33-10-9-17-11-22(27)20(13-23(17)33)16-5-3-2-4-6-16/h2-13,35H,15H2,1H3,(H,32,34)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting a...				J Med Chem 62: 491-511 (2019) Article DOI: 10.1021/acs.jmedchem.8b00973 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529674 (CHEMBL4460567) Show SMILES C[C@](O)(Cn1ccc2cc(F)c(cc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H19F4N3O2/c1-25(35,24(34)32-19-8-7-18(14-31)21(12-19)26(28,29)30)15-33-10-9-17-11-22(27)20(13-23(17)33)16-5-3-2-4-6-16/h2-13,35H,15H2,1H3,(H,32,34)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of R1881-induced receptor transactivation after 24 hr...				J Med Chem 62: 491-511 (2019) Article DOI: 10.1021/acs.jmedchem.8b00973 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529674 (CHEMBL4460567) Show SMILES C[C@](O)(Cn1ccc2cc(F)c(cc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H19F4N3O2/c1-25(35,24(34)32-19-8-7-18(14-31)21(12-19)26(28,29)30)15-33-10-9-17-11-22(27)20(13-23(17)33)16-5-3-2-4-6-16/h2-13,35H,15H2,1H3,(H,32,34)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of R1881-induced receptor transactivation after 24 hr...				J Med Chem 62: 491-511 (2019) Article DOI: 10.1021/acs.jmedchem.8b00973 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair