Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM317901'   

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))	BDBM317901 (US10399976, Compound 54 | US10807980, Compound 54 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc5OC(F)(F)Oc5c4)Cc3c2)nc1 |r| Show InChI InChI=1S/C27H28F2N4O5S/c1-4-39(35,36)21-7-6-20(30-13-21)12-32-26(34)18-10-19-15-33(25(16(2)3)24(19)31-11-18)14-17-5-8-22-23(9-17)38-27(28,29)37-22/h5-11,13,16,25H,4,12,14-15H2,1-3H3,(H,32,34)/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))	BDBM317901 (US10399976, Compound 54 | US10807980, Compound 54 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc5OC(F)(F)Oc5c4)Cc3c2)nc1 |r| Show InChI InChI=1S/C27H28F2N4O5S/c1-4-39(35,36)21-7-6-20(30-13-21)12-32-26(34)18-10-19-15-33(25(16(2)3)24(19)31-11-18)14-17-5-8-22-23(9-17)38-27(28,29)37-22/h5-11,13,16,25H,4,12,14-15H2,1-3H3,(H,32,34)/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))	BDBM317901 (US10399976, Compound 54 | US10807980, Compound 54 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc5OC(F)(F)Oc5c4)Cc3c2)nc1 |r| Show InChI InChI=1S/C27H28F2N4O5S/c1-4-39(35,36)21-7-6-20(30-13-21)12-32-26(34)18-10-19-15-33(25(16(2)3)24(19)31-11-18)14-17-5-8-22-23(9-17)38-27(28,29)37-22/h5-11,13,16,25H,4,12,14-15H2,1-3H3,(H,32,34)/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))	BDBM317901 (US10399976, Compound 54 | US10807980, Compound 54 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc5OC(F)(F)Oc5c4)Cc3c2)nc1 |r| Show InChI InChI=1S/C27H28F2N4O5S/c1-4-39(35,36)21-7-6-20(30-13-21)12-32-26(34)18-10-19-15-33(25(16(2)3)24(19)31-11-18)14-17-5-8-22-23(9-17)38-27(28,29)37-22/h5-11,13,16,25H,4,12,14-15H2,1-3H3,(H,32,34)/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))	BDBM317901 (US10399976, Compound 54 | US10807980, Compound 54 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc5OC(F)(F)Oc5c4)Cc3c2)nc1 |r| Show InChI InChI=1S/C27H28F2N4O5S/c1-4-39(35,36)21-7-6-20(30-13-21)12-32-26(34)18-10-19-15-33(25(16(2)3)24(19)31-11-18)14-17-5-8-22-23(9-17)38-27(28,29)37-22/h5-11,13,16,25H,4,12,14-15H2,1-3H3,(H,32,34)/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))	BDBM317901 (US10399976, Compound 54 | US10807980, Compound 54 ...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc5OC(F)(F)Oc5c4)Cc3c2)nc1 |r| Show InChI InChI=1S/C27H28F2N4O5S/c1-4-39(35,36)21-7-6-20(30-13-21)12-32-26(34)18-10-19-15-33(25(16(2)3)24(19)31-11-18)14-17-5-8-22-23(9-17)38-27(28,29)37-22/h5-11,13,16,25H,4,12,14-15H2,1-3H3,(H,32,34)/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