null

SMILES: CCS(=O)(=O)c1cnc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)c(F)c1

InChI Key: InChIKey=NXKGSLXYYPCRPE-VWLOTQADSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 317991   

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))	BDBM317991 (US10399976, Compound 144 | US10807980, Compound 14...) Show SMILES CCS(=O)(=O)c1cnc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)c(F)c1 |r| Show InChI InChI=1S/C27H28F4N4O3S/c1-4-39(37,38)21-10-22(28)23(32-12-21)13-34-26(36)18-9-19-15-35(25(16(2)3)24(19)33-11-18)14-17-5-7-20(8-6-17)27(29,30)31/h5-12,16,25H,4,13-15H2,1-3H3,(H,34,36)/t25-/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))	BDBM317991 (US10399976, Compound 144 | US10807980, Compound 14...) Show SMILES CCS(=O)(=O)c1cnc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)c(F)c1 |r| Show InChI InChI=1S/C27H28F4N4O3S/c1-4-39(37,38)21-10-22(28)23(32-12-21)13-34-26(36)18-9-19-15-35(25(16(2)3)24(19)33-11-18)14-17-5-7-20(8-6-17)27(29,30)31/h5-12,16,25H,4,13-15H2,1-3H3,(H,34,36)/t25-/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))	BDBM317991 (US10399976, Compound 144 | US10807980, Compound 14...) Show SMILES CCS(=O)(=O)c1cnc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)c(F)c1 |r| Show InChI InChI=1S/C27H28F4N4O3S/c1-4-39(37,38)21-10-22(28)23(32-12-21)13-34-26(36)18-9-19-15-35(25(16(2)3)24(19)33-11-18)14-17-5-7-20(8-6-17)27(29,30)31/h5-12,16,25H,4,13-15H2,1-3H3,(H,34,36)/t25-/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))	BDBM317991 (US10399976, Compound 144 | US10807980, Compound 14...) Show SMILES CCS(=O)(=O)c1cnc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)c(F)c1 |r| Show InChI InChI=1S/C27H28F4N4O3S/c1-4-39(37,38)21-10-22(28)23(32-12-21)13-34-26(36)18-9-19-15-35(25(16(2)3)24(19)33-11-18)14-17-5-7-20(8-6-17)27(29,30)31/h5-12,16,25H,4,13-15H2,1-3H3,(H,34,36)/t25-/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))	BDBM317991 (US10399976, Compound 144 | US10807980, Compound 14...) Show SMILES CCS(=O)(=O)c1cnc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)c(F)c1 |r| Show InChI InChI=1S/C27H28F4N4O3S/c1-4-39(37,38)21-10-22(28)23(32-12-21)13-34-26(36)18-9-19-15-35(25(16(2)3)24(19)33-11-18)14-17-5-7-20(8-6-17)27(29,30)31/h5-12,16,25H,4,13-15H2,1-3H3,(H,34,36)/t25-/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