Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50519878'   

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))	BDBM50519878 (CHEMBL4550831) Show SMILES OC(=O)c1ccc(NCc2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(17.9,-10.08,;17.57,-8.58,;18.7,-7.54,;16.1,-8.11,;14.96,-9.15,;13.5,-8.68,;13.17,-7.18,;11.71,-6.71,;10.57,-7.75,;9.11,-7.28,;7.86,-8.2,;6.61,-7.29,;7.07,-5.82,;8.62,-5.81,;9.51,-4.57,;11.05,-4.73,;11.94,-3.48,;11.31,-2.07,;9.77,-1.93,;8.88,-3.17,;7.88,-9.78,;9.25,-10.55,;10.61,-9.73,;9.28,-12.12,;7.92,-12.93,;6.54,-12.16,;6.52,-10.58,;5.15,-9.81,;5.13,-8.27,;3.83,-10.59,;3.81,-9.03,;14.3,-6.14,;15.77,-6.6,)| Show InChI InChI=1S/C24H16ClF3N2O3/c25-19-8-4-7-18(24(26,27)28)20(19)21-17(22(33-30-21)14-5-2-1-3-6-14)13-29-16-11-9-15(10-12-16)23(31)32/h1-12,29H,13H2,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60E+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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