Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50519886'   

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))	BDBM50519886 (CHEMBL4587804) Show SMILES OC(=O)c1ccc(CNc2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(66.19,-9.77,;65.87,-8.26,;67.02,-7.23,;64.41,-7.78,;63.26,-8.81,;61.8,-8.33,;61.49,-6.82,;60.03,-6.34,;58.88,-7.37,;57.42,-6.89,;56.17,-7.79,;54.93,-6.88,;55.39,-5.41,;56.95,-5.42,;57.85,-4.18,;59.39,-4.35,;60.29,-3.11,;59.67,-1.7,;58.14,-1.54,;57.23,-2.78,;56.19,-9.38,;57.56,-10.14,;58.92,-9.33,;57.58,-11.72,;56.22,-12.53,;54.84,-11.75,;54.83,-10.18,;53.49,-9.42,;53.47,-7.88,;52.16,-10.2,;52.15,-8.65,;62.63,-5.8,;64.09,-6.27,)| Show InChI InChI=1S/C24H16ClF3N2O3/c25-18-8-4-7-17(24(26,27)28)19(18)20-21(22(33-30-20)15-5-2-1-3-6-15)29-13-14-9-11-16(12-10-14)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	3.09E+4	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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