Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM285730'   

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))	BDBM285730 (US10080744, Example 1/1) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(o2)C(C)(C)O)c2ccccc12 Show InChI InChI=1S/C29H36N4O4S2/c1-28(2,3)33-39(35,36)23-16-15-21(19-13-9-10-14-20(19)23)24-22(17-18-11-7-6-8-12-18)30-26(38-24)25-31-32-27(37-25)29(4,5)34/h9-10,13-16,18,33-34H,6-8,11-12,17H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.80	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))	BDBM285730 (US10080744, Example 1/1) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(o2)C(C)(C)O)c2ccccc12 Show InChI InChI=1S/C29H36N4O4S2/c1-28(2,3)33-39(35,36)23-16-15-21(19-13-9-10-14-20(19)23)24-22(17-18-11-7-6-8-12-18)30-26(38-24)25-31-32-27(37-25)29(4,5)34/h9-10,13-16,18,33-34H,6-8,11-12,17H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Binding affinity to recombinant human RORgammat transfected in human HEK293T cells incubated for 24 hrs by dual-glo luciferase reporter gene assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127174 BindingDB Entry DOI: 10.7270/Q2862M1T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM285730 (US10080744, Example 1/1) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(o2)C(C)(C)O)c2ccccc12 Show InChI InChI=1S/C29H36N4O4S2/c1-28(2,3)33-39(35,36)23-16-15-21(19-13-9-10-14-20(19)23)24-22(17-18-11-7-6-8-12-18)30-26(38-24)25-31-32-27(37-25)29(4,5)34/h9-10,13-16,18,33-34H,6-8,11-12,17H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Binding affinity to RORgammat (unknown origin) assessed as dissociation constant by thermal shift binding assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127174 BindingDB Entry DOI: 10.7270/Q2862M1T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM285730 (US10080744, Example 1/1) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(o2)C(C)(C)O)c2ccccc12 Show InChI InChI=1S/C29H36N4O4S2/c1-28(2,3)33-39(35,36)23-16-15-21(19-13-9-10-14-20(19)23)24-22(17-18-11-7-6-8-12-18)30-26(38-24)25-31-32-27(37-25)29(4,5)34/h9-10,13-16,18,33-34H,6-8,11-12,17H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.820	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