Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50519887'   

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))	BDBM50519887 (CHEMBL4457177) Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1c(noc1-c1ccccc1)-c1c(Cl)cccc1C(F)(F)F |(41.67,-9.99,;41.39,-8.48,;42.56,-7.48,;39.94,-7.97,;38.77,-8.97,;37.32,-8.46,;37.04,-6.95,;38.2,-5.95,;39.65,-6.45,;35.59,-6.44,;35.31,-4.92,;34.42,-7.44,;32.97,-6.93,;31.7,-7.81,;30.47,-6.86,;30.97,-5.41,;32.53,-5.45,;33.46,-4.23,;34.99,-4.43,;35.92,-3.21,;35.33,-1.79,;33.8,-1.59,;32.87,-2.81,;31.72,-9.39,;33.09,-10.15,;34.45,-9.34,;33.11,-11.73,;31.75,-12.54,;30.37,-11.76,;30.35,-10.19,;29.02,-9.43,;29,-7.89,;27.69,-10.21,;27.67,-8.66,)| Show InChI InChI=1S/C24H14ClF3N2O4/c25-17-8-4-7-16(24(26,27)28)18(17)19-20(21(34-30-19)13-5-2-1-3-6-13)29-22(31)14-9-11-15(12-10-14)23(32)33/h1-12H,(H,29,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as inh...				J Med Chem 63: 241-259 (2020) Article DOI: 10.1021/acs.jmedchem.9b01372 BindingDB Entry DOI: 10.7270/Q2XP78BB
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