Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM317876'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM317876 (US10399976, Compound 29 | US10807980, Compound 29 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)[C@@H](C)c3c2)cc1 |r| Show InChI InChI=1S/C28H32ClN3O3S/c1-5-36(34,35)24-12-8-20(9-13-24)15-31-28(33)22-14-25-19(4)32(17-21-6-10-23(29)11-7-21)27(18(2)3)26(25)30-16-22/h6-14,16,18-19,27H,5,15,17H2,1-4H3,(H,31,33)/t19-,27-/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))	BDBM317876 (US10399976, Compound 29 | US10807980, Compound 29 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)[C@@H](C)c3c2)cc1 |r| Show InChI InChI=1S/C28H32ClN3O3S/c1-5-36(34,35)24-12-8-20(9-13-24)15-31-28(33)22-14-25-19(4)32(17-21-6-10-23(29)11-7-21)27(18(2)3)26(25)30-16-22/h6-14,16,18-19,27H,5,15,17H2,1-4H3,(H,31,33)/t19-,27-/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))	BDBM317876 (US10399976, Compound 29 | US10807980, Compound 29 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)[C@@H](C)c3c2)cc1 |r| Show InChI InChI=1S/C28H32ClN3O3S/c1-5-36(34,35)24-12-8-20(9-13-24)15-31-28(33)22-14-25-19(4)32(17-21-6-10-23(29)11-7-21)27(18(2)3)26(25)30-16-22/h6-14,16,18-19,27H,5,15,17H2,1-4H3,(H,31,33)/t19-,27-/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))	BDBM317876 (US10399976, Compound 29 | US10807980, Compound 29 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)[C@@H](C)c3c2)cc1 |r| Show InChI InChI=1S/C28H32ClN3O3S/c1-5-36(34,35)24-12-8-20(9-13-24)15-31-28(33)22-14-25-19(4)32(17-21-6-10-23(29)11-7-21)27(18(2)3)26(25)30-16-22/h6-14,16,18-19,27H,5,15,17H2,1-4H3,(H,31,33)/t19-,27-/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))	BDBM317876 (US10399976, Compound 29 | US10807980, Compound 29 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)[C@@H](C)c3c2)cc1 |r| Show InChI InChI=1S/C28H32ClN3O3S/c1-5-36(34,35)24-12-8-20(9-13-24)15-31-28(33)22-14-25-19(4)32(17-21-6-10-23(29)11-7-21)27(18(2)3)26(25)30-16-22/h6-14,16,18-19,27H,5,15,17H2,1-4H3,(H,31,33)/t19-,27-/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))	BDBM317876 (US10399976, Compound 29 | US10807980, Compound 29 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)[C@@H](C)c3c2)cc1 |r| Show InChI InChI=1S/C28H32ClN3O3S/c1-5-36(34,35)24-12-8-20(9-13-24)15-31-28(33)22-14-25-19(4)32(17-21-6-10-23(29)11-7-21)27(18(2)3)26(25)30-16-22/h6-14,16,18-19,27H,5,15,17H2,1-4H3,(H,31,33)/t19-,27-/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