Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM140525'   

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))	BDBM140525 (US8912219, 8) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN2CCCCN(c3ccccc3)S2(=O)=O)c(F)c1 Show InChI InChI=1S/C23H29FN4O3S/c1-19(29)25-13-15-26(16-14-25)22-10-9-20(23(24)17-22)18-27-11-5-6-12-28(32(27,30)31)21-7-3-2-4-8-21/h2-4,7-10,17H,5-6,11-16,18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description For IC50 mode, 10 mM compound stocks were serially diluted in DMSO with DMSO to give 20x required final concentration in DMSO (15 uL compound+30 uL D...				US Patent US8912219 (2014) BindingDB Entry DOI: 10.7270/Q29Z93KB
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