Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50287467'   

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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50287467 (CHEMBL4159083) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(CC4CCN(CC4)C(C)=O)c(c3)C#N)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C32H32F3N3O4S/c1-3-43(41,42)28-9-4-22(5-10-28)17-31(40)37-27-8-11-29(30(19-27)32(33,34)35)25-7-6-24(26(18-25)20-36)16-23-12-14-38(15-13-23)21(2)39/h4-11,18-19,23H,3,12-17H2,1-2H3,(H,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inverse agonist activity at biotinylated RORgammat LBD (unknown origin) assessed as inhibition of N-(2-chloro-6-fluorobenzyl)-N-((2'-methoxy-[1,1'-bi...				ACS Med Chem Lett 9: 120-124 (2018) Article DOI: 10.1021/acsmedchemlett.7b00476 BindingDB Entry DOI: 10.7270/Q2Q81GM4
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50287467 (CHEMBL4159083) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccc(CC4CCN(CC4)C(C)=O)c(c3)C#N)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C32H32F3N3O4S/c1-3-43(41,42)28-9-4-22(5-10-28)17-31(40)37-27-8-11-29(30(19-27)32(33,34)35)25-7-6-24(26(18-25)20-36)16-23-12-14-38(15-13-23)21(2)39/h4-11,18-19,23H,3,12-17H2,1-2H3,(H,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inverse agonist activity at APC-labeled RORgammat LBD (unknown origin) assessed as inhibition of N-(2-chloro-6-fluorobenzyl)-N-((2'-methoxy-[1,1'-bip...				ACS Med Chem Lett 9: 120-124 (2018) Article DOI: 10.1021/acsmedchemlett.7b00476 BindingDB Entry DOI: 10.7270/Q2Q81GM4
					More data for this Ligand-Target Pair