Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM351753'   

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))	BDBM351753 ((S)—N—((R)-1-(4-(ethylsulfonyl)phenyl-2-...) Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1 |r,wU:11.14,30.34,wD:21.22,27.27,(10.77,-19.48,;9.58,-20.17,;8.39,-19.48,;7.7,-20.67,;9.08,-18.29,;7.2,-18.8,;6.16,-19.73,;4.83,-18.96,;4.83,-17.42,;6.16,-16.65,;7.49,-17.42,;3.49,-16.65,;3.49,-15.11,;4.83,-14.34,;2.16,-17.42,;.83,-16.65,;.83,-15.11,;-.51,-17.42,;-.51,-18.96,;-1.84,-19.73,;-3.18,-18.96,;-4.64,-19.44,;-5.04,-20.93,;-3.95,-22.02,;-6.53,-21.33,;-5.55,-18.19,;-7.09,-18.19,;-7.48,-16.71,;-6.4,-15.62,;-6.79,-14.13,;-8.28,-13.73,;-9.37,-14.82,;-8.97,-16.31,;-8.68,-12.24,;-7.59,-11.15,;-10.17,-11.85,;-9.08,-10.76,;-4.64,-16.95,;-3.18,-17.42,;-1.84,-16.65,)| Show InChI InChI=1S/C29H38F3N3O4S/c1-4-40(38,39)24-11-7-20(8-12-24)25(17-36)34-28(37)21-13-22-16-35(27(18(2)3)26(22)33-14-21)15-19-5-9-23(10-6-19)29(30,31)32/h7-8,11-14,18-19,23,25,27,36H,4-6,9-10,15-17H2,1-3H3,(H,34,37)/t19-,23-,25-,27-/m0/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