BDBM50279290 CHEMBL4171039

SMILES: COc1cc2ncc(-c3cccc(NC(C)=O)c3)n2cc1S(=O)(=O)C(C)(C)C

InChI Key: InChIKey=NUXKUWVUEGZBPJ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50279290   

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
Serine/threonine-protein kinase RIPK2 (Homo sapiens (Human))	BDBM50279290 (CHEMBL4171039) Show SMILES COc1cc2ncc(-c3cccc(NC(C)=O)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H23N3O4S/c1-13(24)22-15-8-6-7-14(9-15)16-11-21-19-10-17(27-5)18(12-23(16)19)28(25,26)20(2,3)4/h6-12H,1-5H3,(H,22,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	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 human PBMCs assessed as reduction in MDP-stimulated IL8 secretion measured after 18 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
Serine/threonine-protein kinase RIPK2 (Homo sapiens (Human))	BDBM50279290 (CHEMBL4171039) Show SMILES COc1cc2ncc(-c3cccc(NC(C)=O)c3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H23N3O4S/c1-13(24)22-15-8-6-7-14(9-15)16-11-21-19-10-17(27-5)18(12-23(16)19)28(25,26)20(2,3)4/h6-12H,1-5H3,(H,22,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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 full length RIPK2 (unknown origin) pretreated for 30 mins followed by ATP addition measured after 2 hrs by ADP-d2 tracer based fluoresc...				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