Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-alpha' and Ligand = 'BDBM50368993'   

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-alpha (Homo sapiens (Human))	BDBM50368993 (CHEMBL4163193) Show SMILES CCS(=O)(=O)c1ccc(cc1)C(NC(C)=O)C(=O)Nc1cc(cs1)-c1cc(cnc1OCC(F)(F)F)C#N Show InChI InChI=1S/C24H21F3N4O5S2/c1-3-38(34,35)18-6-4-16(5-7-18)21(30-14(2)32)22(33)31-20-9-17(12-37-20)19-8-15(10-28)11-29-23(19)36-13-24(25,26)27/h4-9,11-12,21H,3,13H2,1-2H3,(H,30,32)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inverse agonist activity at His6-tcs-human RORalpha LBD assessed as inhibition of biotinylated PGC1alpha (130 to 154 residues) peptide recruitment in...				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-alpha (Homo sapiens (Human))	BDBM50368993 (CHEMBL4163193) Show SMILES CCS(=O)(=O)c1ccc(cc1)C(NC(C)=O)C(=O)Nc1cc(cs1)-c1cc(cnc1OCC(F)(F)F)C#N Show InChI InChI=1S/C24H21F3N4O5S2/c1-3-38(34,35)18-6-4-16(5-7-18)21(30-14(2)32)22(33)31-20-9-17(12-37-20)19-8-15(10-28)11-29-23(19)36-13-24(25,26)27/h4-9,11-12,21H,3,13H2,1-2H3,(H,30,32)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at His6-tcs-human RORalpha LBD assessed as stimulation of biotinylated PGC1alpha (130 to 154 residues) peptide recruitment incubated...				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