null

SMILES: CCS(=O)(=O)c1ccc(nc1)C1(CC1)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1

InChI Key: InChIKey=MSDSUGDUBIQDAH-SANMLTNESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 317988   

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))	BDBM317988 (US10399976, Compound 141 | US10807980, Compound 14...) Show SMILES CCS(=O)(=O)c1ccc(nc1)C1(CC1)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1 |r| Show InChI InChI=1S/C29H31F3N4O3S/c1-4-40(38,39)23-9-10-24(33-15-23)28(11-12-28)35-27(37)20-13-21-17-36(26(18(2)3)25(21)34-14-20)16-19-5-7-22(8-6-19)29(30,31)32/h5-10,13-15,18,26H,4,11-12,16-17H2,1-3H3,(H,35,37)/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)
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317988 (US10399976, Compound 141 | US10807980, Compound 14...) Show SMILES CCS(=O)(=O)c1ccc(nc1)C1(CC1)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1 |r| Show InChI InChI=1S/C29H31F3N4O3S/c1-4-40(38,39)23-9-10-24(33-15-23)28(11-12-28)35-27(37)20-13-21-17-36(26(18(2)3)25(21)34-14-20)16-19-5-7-22(8-6-19)29(30,31)32/h5-10,13-15,18,26H,4,11-12,16-17H2,1-3H3,(H,35,37)/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))	BDBM317988 (US10399976, Compound 141 | US10807980, Compound 14...) Show SMILES CCS(=O)(=O)c1ccc(nc1)C1(CC1)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1 |r| Show InChI InChI=1S/C29H31F3N4O3S/c1-4-40(38,39)23-9-10-24(33-15-23)28(11-12-28)35-27(37)20-13-21-17-36(26(18(2)3)25(21)34-14-20)16-19-5-7-22(8-6-19)29(30,31)32/h5-10,13-15,18,26H,4,11-12,16-17H2,1-3H3,(H,35,37)/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))	BDBM317988 (US10399976, Compound 141 | US10807980, Compound 14...) Show SMILES CCS(=O)(=O)c1ccc(nc1)C1(CC1)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1 |r| Show InChI InChI=1S/C29H31F3N4O3S/c1-4-40(38,39)23-9-10-24(33-15-23)28(11-12-28)35-27(37)20-13-21-17-36(26(18(2)3)25(21)34-14-20)16-19-5-7-22(8-6-19)29(30,31)32/h5-10,13-15,18,26H,4,11-12,16-17H2,1-3H3,(H,35,37)/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)
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317988 (US10399976, Compound 141 | US10807980, Compound 14...) Show SMILES CCS(=O)(=O)c1ccc(nc1)C1(CC1)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1 |r| Show InChI InChI=1S/C29H31F3N4O3S/c1-4-40(38,39)23-9-10-24(33-15-23)28(11-12-28)35-27(37)20-13-21-17-36(26(18(2)3)25(21)34-14-20)16-19-5-7-22(8-6-19)29(30,31)32/h5-10,13-15,18,26H,4,11-12,16-17H2,1-3H3,(H,35,37)/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