Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50519894'   

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))	BDBM50519894 (CHEMBL4436630) Show SMILES OC(=O)c1ccc(NC(=O)c2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)cc1F |(43.04,-48.33,;42.27,-47,;43.03,-45.67,;40.73,-47.01,;39.96,-45.68,;38.43,-45.69,;37.68,-47.01,;36.15,-47.01,;35.39,-48.34,;36.15,-49.66,;33.87,-48.34,;32.63,-49.27,;31.37,-48.37,;31.8,-46.89,;33.36,-46.87,;34.26,-45.6,;35.8,-45.74,;36.69,-44.48,;36.04,-43.06,;34.48,-42.93,;33.6,-44.2,;32.65,-50.81,;34,-51.57,;35.32,-50.77,;34.02,-53.1,;32.69,-53.9,;31.35,-53.14,;31.33,-51.6,;29.99,-50.85,;29.97,-49.32,;28.68,-51.63,;28.66,-50.08,;38.44,-48.34,;39.97,-48.33,;40.74,-49.66,)| Show InChI InChI=1S/C24H13ClF4N2O4/c25-16-8-4-7-15(24(27,28)29)18(16)20-19(21(35-31-20)12-5-2-1-3-6-12)22(32)30-13-9-10-14(23(33)34)17(26)11-13/h1-11H,(H,30,32)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.11E+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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