BDBM50467987 CHEMBL4293701

SMILES: CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3cc[nH]n3)c2c1

InChI Key: InChIKey=MXYFRVNXUQVOQV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50467987   

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))	BDBM50467987 (CHEMBL4293701) Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3cc[nH]n3)c2c1 Show InChI InChI=1S/C16H18N4O2S/c1-16(2,3)23(21,22)11-4-5-13-12(10-11)14(6-8-17-13)19-15-7-9-18-20-15/h4-10H,1-3H3,(H2,17,18,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc...				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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50467987 (CHEMBL4293701) Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3cc[nH]n3)c2c1 Show InChI InChI=1S/C16H18N4O2S/c1-16(2,3)23(21,22)11-4-5-13-12(10-11)14(6-8-17-13)19-15-7-9-18-20-15/h4-10H,1-3H3,(H2,17,18,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by Qpatch clamp assay				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
Serine/threonine-protein kinase RIPK2 (Homo sapiens (Human))	BDBM50467987 (CHEMBL4293701) Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3cc[nH]n3)c2c1 Show InChI InChI=1S/C16H18N4O2S/c1-16(2,3)23(21,22)11-4-5-13-12(10-11)14(6-8-17-13)19-15-7-9-18-20-15/h4-10H,1-3H3,(H2,17,18,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measu...				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