null

SMILES: CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)cc1

InChI Key: InChIKey=FYZDNEKLBGHSIS-MHZLTWQESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 317905   

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))	BDBM317905 (US10399976, Compound 58 | US10807980, Compound 58 ...) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)cc1 |r| Show InChI InChI=1S/C28H30F3N3O3S/c1-4-38(36,37)24-11-7-19(8-12-24)13-25(35)33-23-14-21-17-34(27(18(2)3)26(21)32-15-23)16-20-5-9-22(10-6-20)28(29,30)31/h5-12,14-15,18,27H,4,13,16-17H2,1-3H3,(H,33,35)/t27-/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)
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317905 (US10399976, Compound 58 | US10807980, Compound 58 ...) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)cc1 |r| Show InChI InChI=1S/C28H30F3N3O3S/c1-4-38(36,37)24-11-7-19(8-12-24)13-25(35)33-23-14-21-17-34(27(18(2)3)26(21)32-15-23)16-20-5-9-22(10-6-20)28(29,30)31/h5-12,14-15,18,27H,4,13,16-17H2,1-3H3,(H,33,35)/t27-/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))	BDBM317905 (US10399976, Compound 58 | US10807980, Compound 58 ...) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)cc1 |r| Show InChI InChI=1S/C28H30F3N3O3S/c1-4-38(36,37)24-11-7-19(8-12-24)13-25(35)33-23-14-21-17-34(27(18(2)3)26(21)32-15-23)16-20-5-9-22(10-6-20)28(29,30)31/h5-12,14-15,18,27H,4,13,16-17H2,1-3H3,(H,33,35)/t27-/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))	BDBM317905 (US10399976, Compound 58 | US10807980, Compound 58 ...) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)cc1 |r| Show InChI InChI=1S/C28H30F3N3O3S/c1-4-38(36,37)24-11-7-19(8-12-24)13-25(35)33-23-14-21-17-34(27(18(2)3)26(21)32-15-23)16-20-5-9-22(10-6-20)28(29,30)31/h5-12,14-15,18,27H,4,13,16-17H2,1-3H3,(H,33,35)/t27-/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)
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317905 (US10399976, Compound 58 | US10807980, Compound 58 ...) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)cc1 |r| Show InChI InChI=1S/C28H30F3N3O3S/c1-4-38(36,37)24-11-7-19(8-12-24)13-25(35)33-23-14-21-17-34(27(18(2)3)26(21)32-15-23)16-20-5-9-22(10-6-20)28(29,30)31/h5-12,14-15,18,27H,4,13,16-17H2,1-3H3,(H,33,35)/t27-/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