Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50368990'   

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))	BDBM50368990 (CHEMBL4163215) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(cs2)-c2cccnc2OCc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C27H23F3N2O5S2/c1-2-39(34,35)22-11-7-18(8-12-22)14-24(33)32-25-15-20(17-38-25)23-4-3-13-31-26(23)36-16-19-5-9-21(10-6-19)37-27(28,29)30/h3-13,15,17H,2,14,16H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide from purified N-(HN)6-GST-TCS-human RORgammat ...				J Med Chem 61: 7796-7813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00783 BindingDB Entry DOI: 10.7270/Q23R0WFQ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50368990 (CHEMBL4163215) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(cs2)-c2cccnc2OCc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C27H23F3N2O5S2/c1-2-39(34,35)22-11-7-18(8-12-22)14-24(33)32-25-15-20(17-38-25)23-4-3-13-31-26(23)36-16-19-5-9-21(10-6-19)37-27(28,29)30/h3-13,15,17H,2,14,16H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human TH17 cells assessed as inhibition of IL17 release incubated for 4 days by HTRF assay				J Med Chem 61: 7796-7813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00783 BindingDB Entry DOI: 10.7270/Q23R0WFQ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50368990 (CHEMBL4163215) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(cs2)-c2cccnc2OCc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C27H23F3N2O5S2/c1-2-39(34,35)22-11-7-18(8-12-22)14-24(33)32-25-15-20(17-38-25)23-4-3-13-31-26(23)36-16-19-5-9-21(10-6-19)37-27(28,29)30/h3-13,15,17H,2,14,16H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inverse agonist activity at biotinylated HN-Avi-MBP-TCS-human RORgammat (258 to 518 residues) assessed as inhibition of biotinylated SRC-1 peptide NC...				J Med Chem 61: 7796-7813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00783 BindingDB Entry DOI: 10.7270/Q23R0WFQ
					More data for this Ligand-Target Pair