Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM317881'   

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))	BDBM317881 (US10399976, Compound 34 | US10807980, Compound 34 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3c2)nc1 |r| Show InChI InChI=1S/C26H29ClN4O3S/c1-4-35(33,34)23-10-9-22(28-14-23)13-30-26(32)19-11-20-16-31(15-18-5-7-21(27)8-6-18)25(17(2)3)24(20)29-12-19/h5-12,14,17,25H,4,13,15-16H2,1-3H3,(H,30,32)/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))	BDBM317881 (US10399976, Compound 34 | US10807980, Compound 34 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3c2)nc1 |r| Show InChI InChI=1S/C26H29ClN4O3S/c1-4-35(33,34)23-10-9-22(28-14-23)13-30-26(32)19-11-20-16-31(15-18-5-7-21(27)8-6-18)25(17(2)3)24(20)29-12-19/h5-12,14,17,25H,4,13,15-16H2,1-3H3,(H,30,32)/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))	BDBM317881 (US10399976, Compound 34 | US10807980, Compound 34 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3c2)nc1 |r| Show InChI InChI=1S/C26H29ClN4O3S/c1-4-35(33,34)23-10-9-22(28-14-23)13-30-26(32)19-11-20-16-31(15-18-5-7-21(27)8-6-18)25(17(2)3)24(20)29-12-19/h5-12,14,17,25H,4,13,15-16H2,1-3H3,(H,30,32)/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))	BDBM317881 (US10399976, Compound 34 | US10807980, Compound 34 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3c2)nc1 |r| Show InChI InChI=1S/C26H29ClN4O3S/c1-4-35(33,34)23-10-9-22(28-14-23)13-30-26(32)19-11-20-16-31(15-18-5-7-21(27)8-6-18)25(17(2)3)24(20)29-12-19/h5-12,14,17,25H,4,13,15-16H2,1-3H3,(H,30,32)/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) BindingDB Entry DOI: 10.7270/Q2PR803S
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317881 (US10399976, Compound 34 | US10807980, Compound 34 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3c2)nc1 |r| Show InChI InChI=1S/C26H29ClN4O3S/c1-4-35(33,34)23-10-9-22(28-14-23)13-30-26(32)19-11-20-16-31(15-18-5-7-21(27)8-6-18)25(17(2)3)24(20)29-12-19/h5-12,14,17,25H,4,13,15-16H2,1-3H3,(H,30,32)/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
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))	BDBM317881 (US10399976, Compound 34 | US10807980, Compound 34 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3c2)nc1 |r| Show InChI InChI=1S/C26H29ClN4O3S/c1-4-35(33,34)23-10-9-22(28-14-23)13-30-26(32)19-11-20-16-31(15-18-5-7-21(27)8-6-18)25(17(2)3)24(20)29-12-19/h5-12,14,17,25H,4,13,15-16H2,1-3H3,(H,30,32)/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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317881 (US10399976, Compound 34 | US10807980, Compound 34 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3c2)nc1 |r| Show InChI InChI=1S/C26H29ClN4O3S/c1-4-35(33,34)23-10-9-22(28-14-23)13-30-26(32)19-11-20-16-31(15-18-5-7-21(27)8-6-18)25(17(2)3)24(20)29-12-19/h5-12,14,17,25H,4,13,15-16H2,1-3H3,(H,30,32)/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) BindingDB Entry DOI: 10.7270/Q2PR803S
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317881 (US10399976, Compound 34 | US10807980, Compound 34 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3c2)nc1 |r| Show InChI InChI=1S/C26H29ClN4O3S/c1-4-35(33,34)23-10-9-22(28-14-23)13-30-26(32)19-11-20-16-31(15-18-5-7-21(27)8-6-18)25(17(2)3)24(20)29-12-19/h5-12,14,17,25H,4,13,15-16H2,1-3H3,(H,30,32)/t25-/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