Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50519890'   

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))	BDBM50519890 (CHEMBL4452409) Show SMILES OC(=O)c1cccc(NC(=O)c2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)c1 |(17.09,-50.46,;17.85,-49.12,;19.39,-49.12,;17.08,-47.8,;17.84,-46.47,;17.07,-45.15,;15.55,-45.15,;14.8,-46.48,;13.27,-46.48,;12.52,-47.8,;13.28,-49.12,;10.99,-47.81,;9.73,-48.7,;8.49,-47.78,;8.96,-46.31,;10.52,-46.33,;11.46,-45.08,;12.99,-45.26,;13.91,-44.02,;13.29,-42.58,;11.74,-42.42,;10.82,-43.66,;9.75,-50.24,;11.09,-51,;12.42,-50.21,;11.11,-52.54,;9.78,-53.33,;8.44,-52.58,;8.42,-51.03,;7.09,-50.28,;7.07,-48.75,;5.77,-51.06,;5.75,-49.52,;15.56,-47.8,)| Show InChI InChI=1S/C24H14ClF3N2O4/c25-17-11-5-10-16(24(26,27)28)18(17)20-19(21(34-30-20)13-6-2-1-3-7-13)22(31)29-15-9-4-8-14(12-15)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	7.39E+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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