Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM351594'   

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))	BDBM351594 (US9796710, Compound 4 | US9796710, Compound 5) Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](CO)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](OC3)C(F)(F)F)Cc2c1 |r| Show InChI InChI=1S/C27H35F3N4O5S/c1-4-40(37,38)20-6-7-21(31-11-20)22(14-35)33-26(36)18-9-19-13-34(25(16(2)3)24(19)32-10-18)12-17-5-8-23(39-15-17)27(28,29)30/h6-7,9-11,16-17,22-23,25,35H,4-5,8,12-15H2,1-3H3,(H,33,36)/t17-,22+,23-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the present invention were tested for ability to bind to ROR in a cell-free competition assay with commercially available radio-ligand (...				US Patent US9796710 (2017) BindingDB Entry DOI: 10.7270/Q2RN3B08
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM351594 (US9796710, Compound 4 | US9796710, Compound 5) Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](CO)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](OC3)C(F)(F)F)Cc2c1 |r| Show InChI InChI=1S/C27H35F3N4O5S/c1-4-40(37,38)20-6-7-21(31-11-20)22(14-35)33-26(36)18-9-19-13-34(25(16(2)3)24(19)32-10-18)12-17-5-8-23(39-15-17)27(28,29)30/h6-7,9-11,16-17,22-23,25,35H,4-5,8,12-15H2,1-3H3,(H,33,36)/t17-,22+,23-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the present invention were tested for ability to bind to ROR in a cell-free competition assay with commercially available radio-ligand (...				US Patent US9796710 (2017) BindingDB Entry DOI: 10.7270/Q2RN3B08
					More data for this Ligand-Target Pair