Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM285758'   

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))	BDBM285758 (US10080744, Example 3/25 | US10080744, Example 4/1) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-16(26(30,31)32)36-43(39,40)15-9-8-13(18(19(15)27)21(28)29)20-14(10-12-6-5-7-12)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12,16,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...				US Patent US10080744 (2018) BindingDB Entry DOI: 10.7270/Q21J9CVM
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM285758 (US10080744, Example 3/25 | US10080744, Example 4/1) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-16(26(30,31)32)36-43(39,40)15-9-8-13(18(19(15)27)21(28)29)20-14(10-12-6-5-7-12)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12,16,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...				US Patent US10080744 (2018) BindingDB Entry DOI: 10.7270/Q21J9CVM
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM285758 (US10080744, Example 3/25 | US10080744, Example 4/1) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-16(26(30,31)32)36-43(39,40)15-9-8-13(18(19(15)27)21(28)29)20-14(10-12-6-5-7-12)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12,16,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...				US Patent US10080744 (2018) BindingDB Entry DOI: 10.7270/Q21J9CVM
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM285758 (US10080744, Example 3/25 | US10080744, Example 4/1) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-16(26(30,31)32)36-43(39,40)15-9-8-13(18(19(15)27)21(28)29)20-14(10-12-6-5-7-12)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12,16,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The human Th17 assay tests the effect of RORγt modulatory compounds on IL-17 production by CD4 T cells under conditions which favor Th17 differe...				US Patent US10080744 (2018) BindingDB Entry DOI: 10.7270/Q21J9CVM
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM285758 (US10080744, Example 3/25 | US10080744, Example 4/1) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-16(26(30,31)32)36-43(39,40)15-9-8-13(18(19(15)27)21(28)29)20-14(10-12-6-5-7-12)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12,16,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0580	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...				US Patent US10080744 (2018) BindingDB Entry DOI: 10.7270/Q21J9CVM
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM285758 (US10080744, Example 3/25 | US10080744, Example 4/1) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-16(26(30,31)32)36-43(39,40)15-9-8-13(18(19(15)27)21(28)29)20-14(10-12-6-5-7-12)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12,16,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...				US Patent US10080744 (2018) BindingDB Entry DOI: 10.7270/Q21J9CVM
					More data for this Ligand-Target Pair