Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50090094'   

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))	BDBM50090094 (CHEMBL3581541 | US9216988, 89) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2cccc(Cl)c2)c(F)c1 Show InChI InChI=1S/C24H29ClFN3O3S/c1-18(30)27-10-12-28(13-11-27)23-9-8-20(24(26)15-23)16-29(22-6-3-7-22)33(31,32)17-19-4-2-5-21(25)14-19/h2,4-5,8-9,14-15,22H,3,6-7,10-13,16-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.4	n/a
Genentech, Inc. US Patent					Assay Description On day of the assay, 100 uL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash bu...				US Patent US9216988 (2015) BindingDB Entry DOI: 10.7270/Q2TB15QC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50090094 (CHEMBL3581541 | US9216988, 89) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2cccc(Cl)c2)c(F)c1 Show InChI InChI=1S/C24H29ClFN3O3S/c1-18(30)27-10-12-28(13-11-27)23-9-8-20(24(26)15-23)16-29(22-6-3-7-22)33(31,32)17-19-4-2-5-21(25)14-19/h2,4-5,8-9,14-15,22H,3,6-7,10-13,16-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...				ACS Med Chem Lett 6: 276-81 (2015) Article DOI: 10.1021/ml500420y BindingDB Entry DOI: 10.7270/Q2TT4SPB
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50090094 (CHEMBL3581541 | US9216988, 89) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2cccc(Cl)c2)c(F)c1 Show InChI InChI=1S/C24H29ClFN3O3S/c1-18(30)27-10-12-28(13-11-27)23-9-8-20(24(26)15-23)16-29(22-6-3-7-22)33(31,32)17-19-4-2-5-21(25)14-19/h2,4-5,8-9,14-15,22H,3,6-7,10-13,16-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...				ACS Med Chem Lett 6: 276-81 (2015) Article DOI: 10.1021/ml500420y BindingDB Entry DOI: 10.7270/Q2TT4SPB
					More data for this Ligand-Target Pair