Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50519889'   

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))	BDBM50519889 (CHEMBL4466846) Show SMILES CC(C)(C)OC(=O)c1ccc(NC(=O)c2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(42.68,-30.58,;41.91,-29.25,;42.68,-27.91,;43.44,-29.24,;40.37,-29.25,;39.6,-27.92,;40.36,-26.58,;38.06,-27.92,;37.29,-29.26,;35.75,-29.26,;34.98,-27.92,;33.44,-27.92,;32.67,-29.26,;33.44,-30.59,;31.14,-29.26,;29.9,-30.19,;28.64,-29.29,;29.09,-27.81,;30.64,-27.79,;31.53,-26.53,;33.07,-26.67,;33.96,-25.4,;33.31,-24,;31.76,-23.86,;30.88,-25.13,;29.92,-31.72,;31.26,-32.47,;32.58,-31.68,;31.28,-34.01,;29.95,-34.8,;28.61,-34.05,;28.59,-32.51,;27.25,-31.75,;27.23,-30.21,;25.92,-32.53,;25.91,-30.98,;35.74,-26.59,;37.28,-26.58,)| Show InChI InChI=1S/C28H22ClF3N2O4/c1-27(2,3)37-26(36)17-12-14-18(15-13-17)33-25(35)22-23(34-38-24(22)16-8-5-4-6-9-16)21-19(28(30,31)32)10-7-11-20(21)29/h4-15H,1-3H3,(H,33,35)	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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