null

SMILES: CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCN(CC(F)(F)F)CC4)Cc3c2)cc1

InChI Key: InChIKey=WBOGYCSSMIOPHL-SANMLTNESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 317896   

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))	BDBM317896 (US10399976, Compound 49 | US10807980, Compound 49 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCN(CC(F)(F)F)CC4)Cc3c2)cc1 |r| Show InChI InChI=1S/C28H37F3N4O3S/c1-4-39(37,38)24-7-5-20(6-8-24)14-33-27(36)22-13-23-17-35(26(19(2)3)25(23)32-15-22)16-21-9-11-34(12-10-21)18-28(29,30)31/h5-8,13,15,19,21,26H,4,9-12,14,16-18H2,1-3H3,(H,33,36)/t26-/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 US9624217 (2017) BindingDB Entry DOI: 10.7270/Q29P33RJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317896 (US10399976, Compound 49 | US10807980, Compound 49 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCN(CC(F)(F)F)CC4)Cc3c2)cc1 |r| Show InChI InChI=1S/C28H37F3N4O3S/c1-4-39(37,38)24-7-5-20(6-8-24)14-33-27(36)22-13-23-17-35(26(19(2)3)25(23)32-15-22)16-21-9-11-34(12-10-21)18-28(29,30)31/h5-8,13,15,19,21,26H,4,9-12,14,16-18H2,1-3H3,(H,33,36)/t26-/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, LLC US Patent					Assay Description Compounds of the present invention were tested for ability to bind to ROR gamma in a cell-free competition assay with commercially available radio-li...				US Patent US10399976 (2019) BindingDB Entry DOI: 10.7270/Q2F76FXT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317896 (US10399976, Compound 49 | US10807980, Compound 49 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCN(CC(F)(F)F)CC4)Cc3c2)cc1 |r| Show InChI InChI=1S/C28H37F3N4O3S/c1-4-39(37,38)24-7-5-20(6-8-24)14-33-27(36)22-13-23-17-35(26(19(2)3)25(23)32-15-22)16-21-9-11-34(12-10-21)18-28(29,30)31/h5-8,13,15,19,21,26H,4,9-12,14,16-18H2,1-3H3,(H,33,36)/t26-/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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BK1H79
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317896 (US10399976, Compound 49 | US10807980, Compound 49 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCN(CC(F)(F)F)CC4)Cc3c2)cc1 |r| Show InChI InChI=1S/C28H37F3N4O3S/c1-4-39(37,38)24-7-5-20(6-8-24)14-33-27(36)22-13-23-17-35(26(19(2)3)25(23)32-15-22)16-21-9-11-34(12-10-21)18-28(29,30)31/h5-8,13,15,19,21,26H,4,9-12,14,16-18H2,1-3H3,(H,33,36)/t26-/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, LLC 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 US10807980 (2020) BindingDB Entry DOI: 10.7270/Q2PR803S
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317896 (US10399976, Compound 49 | US10807980, Compound 49 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCN(CC(F)(F)F)CC4)Cc3c2)cc1 |r| Show InChI InChI=1S/C28H37F3N4O3S/c1-4-39(37,38)24-7-5-20(6-8-24)14-33-27(36)22-13-23-17-35(26(19(2)3)25(23)32-15-22)16-21-9-11-34(12-10-21)18-28(29,30)31/h5-8,13,15,19,21,26H,4,9-12,14,16-18H2,1-3H3,(H,33,36)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, LLC US Patent					Assay Description Compounds of the present invention were tested for RORγ inverse agonist activity in a cell-based, transcriptional activity assay. Secreted Nanol...				US Patent US10807980 (2020) BindingDB Entry DOI: 10.7270/Q2PR803S
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317896 (US10399976, Compound 49 | US10807980, Compound 49 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCN(CC(F)(F)F)CC4)Cc3c2)cc1 |r| Show InChI InChI=1S/C28H37F3N4O3S/c1-4-39(37,38)24-7-5-20(6-8-24)14-33-27(36)22-13-23-17-35(26(19(2)3)25(23)32-15-22)16-21-9-11-34(12-10-21)18-28(29,30)31/h5-8,13,15,19,21,26H,4,9-12,14,16-18H2,1-3H3,(H,33,36)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, LLC US Patent					Assay Description Compounds of the present invention were tested for ROR gamma inverse agonist activity in a cell-based, transcriptional activity assay. Secreted Nanol...				US Patent US10399976 (2019) BindingDB Entry DOI: 10.7270/Q2F76FXT
					More data for this Ligand-Target Pair