Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50044176'   

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))	BDBM50044176 (CHEMBL3313986) Show SMILES Cc1cc(ccc1-c1ccc(CN2CCN(Cc3ccncc3)CC2)cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H27F6N3O/c1-19-16-23(25(37,26(28,29)30)27(31,32)33)6-7-24(19)22-4-2-20(3-5-22)17-35-12-14-36(15-13-35)18-21-8-10-34-11-9-21/h2-11,16,37H,12-15,17-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]T0901317 from human RoRc expressed in HepG2 cells by scintillation proximity binding assay				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
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