null

SMILES: CC(C)[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)NCC1CCN(CC1)S(C)(=O)=O

InChI Key: InChIKey=QIOOWUSFGDIFBB-OPHFCASCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 362868   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM362868 (US9845308, Example 4a | US9845308, Example 5a) Show SMILES CC(C)[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)NCC1CCN(CC1)S(C)(=O)=O |r,wU:9.12,wD:6.5,3.2,(-6.52,-3.89,;-5.04,-3.49,;-3.95,-4.58,;-4.64,-2,;-5.54,-.76,;-7.08,-.76,;-7.85,.58,;-7.08,1.91,;-7.85,3.24,;-9.39,3.24,;-10.16,1.91,;-9.39,.58,;-10.16,4.58,;-9.39,5.91,;-11.7,4.58,;-10.93,5.91,;-4.64,.49,;-3.17,.01,;-1.84,.78,;-.51,.01,;-.51,-1.53,;-1.84,-2.3,;-3.17,-1.53,;.83,.78,;.83,2.32,;2.16,.01,;3.49,.78,;4.83,.01,;4.83,-1.53,;6.16,-2.3,;7.54,-1.55,;7.5,.01,;6.16,.78,;8.88,-2.32,;9.65,-.99,;10.21,-3.09,;8.11,-3.66,)| Show InChI InChI=1S/C27H40F3N3O3S/c1-18(2)25-24-9-6-21(26(34)31-15-19-10-12-33(13-11-19)37(3,35)36)14-22(24)17-32(25)16-20-4-7-23(8-5-20)27(28,29)30/h6,9,14,18-20,23,25H,4-5,7-8,10-13,15-17H2,1-3H3,(H,31,34)/t20-,23-,25-/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 RORγ in a cell-free competition assay with commercially available radio-li...				US Patent US9845308 (2017) BindingDB Entry DOI: 10.7270/Q2DF6TG9
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM362868 (US9845308, Example 4a | US9845308, Example 5a) Show SMILES CC(C)[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)NCC1CCN(CC1)S(C)(=O)=O |r,wU:9.12,wD:6.5,3.2,(-6.52,-3.89,;-5.04,-3.49,;-3.95,-4.58,;-4.64,-2,;-5.54,-.76,;-7.08,-.76,;-7.85,.58,;-7.08,1.91,;-7.85,3.24,;-9.39,3.24,;-10.16,1.91,;-9.39,.58,;-10.16,4.58,;-9.39,5.91,;-11.7,4.58,;-10.93,5.91,;-4.64,.49,;-3.17,.01,;-1.84,.78,;-.51,.01,;-.51,-1.53,;-1.84,-2.3,;-3.17,-1.53,;.83,.78,;.83,2.32,;2.16,.01,;3.49,.78,;4.83,.01,;4.83,-1.53,;6.16,-2.3,;7.54,-1.55,;7.5,.01,;6.16,.78,;8.88,-2.32,;9.65,-.99,;10.21,-3.09,;8.11,-3.66,)| Show InChI InChI=1S/C27H40F3N3O3S/c1-18(2)25-24-9-6-21(26(34)31-15-19-10-12-33(13-11-19)37(3,35)36)14-22(24)17-32(25)16-20-4-7-23(8-5-20)27(28,29)30/h6,9,14,18-20,23,25H,4-5,7-8,10-13,15-17H2,1-3H3,(H,31,34)/t20-,23-,25-/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 RORγ in a cell-free competition assay with commercially available radio-li...				US Patent US9845308 (2017) BindingDB Entry DOI: 10.7270/Q2DF6TG9
					More data for this Ligand-Target Pair