Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50519882'   

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))	BDBM50519882 (CHEMBL4465726) Show SMILES OC(=O)c1ccc(NCc2c(noc2-c2cccc(O)c2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(68.2,-47.19,;67.04,-48.22,;67.34,-49.73,;65.57,-47.72,;64.41,-48.75,;62.95,-48.26,;62.65,-46.74,;61.18,-46.24,;60.02,-47.27,;58.56,-46.78,;57.3,-47.67,;56.06,-46.75,;56.54,-45.28,;58.1,-45.3,;59.01,-44.06,;60.54,-44.24,;61.46,-43.01,;60.85,-41.6,;59.32,-41.43,;58.7,-40.02,;58.41,-42.66,;57.28,-49.21,;58.61,-49.99,;59.94,-49.23,;58.59,-51.52,;57.25,-52.28,;55.92,-51.5,;55.94,-49.96,;54.62,-49.18,;54.64,-47.64,;53.28,-49.93,;53.28,-48.4,;63.8,-45.72,;65.26,-46.2,)| Show InChI InChI=1S/C24H16ClF3N2O4/c25-19-6-2-5-18(24(26,27)28)20(19)21-17(12-29-15-9-7-13(8-10-15)23(32)33)22(34-30-21)14-3-1-4-16(31)11-14/h1-11,29,31H,12H2,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.62E+3	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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