Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50044153'   

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))	BDBM50044153 (CHEMBL3314026) Show SMILES CC(C)CCC(NC(=O)Cc1ccc2oc(cc2c1)C(O)c1c(C)noc1C)c1ncc(C)cc1C Show InChI InChI=1S/C29H35N3O4/c1-16(2)7-9-23(28-18(4)11-17(3)15-30-28)31-26(33)13-21-8-10-24-22(12-21)14-25(35-24)29(34)27-19(5)32-36-20(27)6/h8,10-12,14-16,23,29,34H,7,9,13H2,1-6H3,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at human RoRc-LBD expressed in cells assessed as SRC1 to 2 coactivator peptide recruitment				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
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