Compile Data Set for Download or QSAR

Found 5 hits of ic50 data for polymerid = 50007131   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Receptor-interacting serine/threonine-protein kinase 2 (Rattus norvegicus)	BDBM50184765 (CHEMBL3823499) Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 Show InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of rat RIPK2 preincubated for 10 mins followed by addition of fluorescent-labeled 2-Methyl-5-(2-propen-l-yloxy)aniline measured after 10 m...				J Med Chem 59: 4867-80 (2016) Article DOI: 10.1021/acs.jmedchem.6b00211 BindingDB Entry DOI: 10.7270/Q2G162SQ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Rattus norvegicus)	BDBM50516677 (CHEMBL4514780) Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of fluorescent-labelled ligand binding to rat RIP2K preincubated for 10 mins followed by fluorescent-labelled ligand addition and measured...				J Med Chem 62: 6482-6494 (2019) Article DOI: 10.1021/acs.jmedchem.9b00575 BindingDB Entry DOI: 10.7270/Q2WS8XKF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 2 (Rattus norvegicus)	BDBM50467984 (CHEMBL4293287) Show SMILES COc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H24N4O3S/c1-11-12(2)22-23-18(11)21-14-7-8-20-15-10-16(26-6)17(9-13(14)15)27(24,25)19(3,4)5/h7-10H,1-6H3,(H2,20,21,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RIPK2 in rat whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measure...				ACS Med Chem Lett 9: 1039-1044 (2018) Article DOI: 10.1021/acsmedchemlett.8b00344 BindingDB Entry DOI: 10.7270/Q25D8VJV
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Rattus norvegicus)	BDBM50279297 (CHEMBL4173493) Show SMILES COCCOc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H23ClN4O4S/c1-19(2,3)29(25,26)15-11-24-13(12-7-16(20)23-17(21)8-12)10-22-18(24)9-14(15)28-6-5-27-4/h7-11H,5-6H2,1-4H3,(H2,21,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of RIPK2 in rat whole blood assessed as reduction in MDP-stimulated TNFalpha secretion measured after 5 hrs				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Rattus norvegicus)	BDBM50279292 (CHEMBL4161327) Show SMILES CCOc1cc2ncc(-c3cc(N)nc(F)c3)n2cc1S(=O)(=O)C(C)C Show InChI InChI=1S/C17H19FN4O3S/c1-4-25-13-7-17-20-8-12(11-5-15(18)21-16(19)6-11)22(17)9-14(13)26(23,24)10(2)3/h5-10H,4H2,1-3H3,(H2,19,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of RIPK2 in rat whole blood assessed as reduction in MDP-stimulated TNFalpha secretion measured after 5 hrs				ACS Med Chem Lett 8: 1048-1053 (2017) Article DOI: 10.1021/acsmedchemlett.7b00258 BindingDB Entry DOI: 10.7270/Q2ST7SBP
					More data for this Ligand-Target Pair