null

SMILES: CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4nnn(C)n4)Cc3c2)cc1

InChI Key: InChIKey=OWLUMEJYZHZVMO-MHZLTWQESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 317885   

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))	BDBM317885 (US10399976, Compound 38 | US10807980, Compound 38 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4nnn(C)n4)Cc3c2)cc1 |r| Show InChI InChI=1S/C29H33N7O3S/c1-5-40(38,39)25-12-8-20(9-13-25)15-31-29(37)23-14-24-18-36(27(19(2)3)26(24)30-16-23)17-21-6-10-22(11-7-21)28-32-34-35(4)33-28/h6-14,16,19,27H,5,15,17-18H2,1-4H3,(H,31,37)/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))	BDBM317885 (US10399976, Compound 38 | US10807980, Compound 38 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4nnn(C)n4)Cc3c2)cc1 |r| Show InChI InChI=1S/C29H33N7O3S/c1-5-40(38,39)25-12-8-20(9-13-25)15-31-29(37)23-14-24-18-36(27(19(2)3)26(24)30-16-23)17-21-6-10-22(11-7-21)28-32-34-35(4)33-28/h6-14,16,19,27H,5,15,17-18H2,1-4H3,(H,31,37)/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))	BDBM317885 (US10399976, Compound 38 | US10807980, Compound 38 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4nnn(C)n4)Cc3c2)cc1 |r| Show InChI InChI=1S/C29H33N7O3S/c1-5-40(38,39)25-12-8-20(9-13-25)15-31-29(37)23-14-24-18-36(27(19(2)3)26(24)30-16-23)17-21-6-10-22(11-7-21)28-32-34-35(4)33-28/h6-14,16,19,27H,5,15,17-18H2,1-4H3,(H,31,37)/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))	BDBM317885 (US10399976, Compound 38 | US10807980, Compound 38 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4nnn(C)n4)Cc3c2)cc1 |r| Show InChI InChI=1S/C29H33N7O3S/c1-5-40(38,39)25-12-8-20(9-13-25)15-31-29(37)23-14-24-18-36(27(19(2)3)26(24)30-16-23)17-21-6-10-22(11-7-21)28-32-34-35(4)33-28/h6-14,16,19,27H,5,15,17-18H2,1-4H3,(H,31,37)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	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))	BDBM317885 (US10399976, Compound 38 | US10807980, Compound 38 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4nnn(C)n4)Cc3c2)cc1 |r| Show InChI InChI=1S/C29H33N7O3S/c1-5-40(38,39)25-12-8-20(9-13-25)15-31-29(37)23-14-24-18-36(27(19(2)3)26(24)30-16-23)17-21-6-10-22(11-7-21)28-32-34-35(4)33-28/h6-14,16,19,27H,5,15,17-18H2,1-4H3,(H,31,37)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	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