BDBM50327417 1-(2-(2-(2-(dimethylamino)ethylamino)-6-(2-(isopropylamino)thiazol-5-yl)pyrimidin-4-yl)benzyl)-3-ethylurea::1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea::CHEMBL1230171

SMILES: CCNC(=O)NCc1ccccc1-c1cc(nc(NCCN(C)C)n1)-c1cnc(NC(C)C)s1

InChI Key: InChIKey=JQWPDTBHOVYRPB-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50327417   

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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50327417 (1-(2-(2-(2-(dimethylamino)ethylamino)-6-(2-(isopro...) Show SMILES CCNC(=O)NCc1ccccc1-c1cc(nc(NCCN(C)C)n1)-c1cnc(NC(C)C)s1 Show InChI InChI=1S/C24H34N8OS/c1-6-25-23(33)27-14-17-9-7-8-10-18(17)19-13-20(21-15-28-24(34-21)29-16(2)3)31-22(30-19)26-11-12-32(4)5/h7-10,13,15-16H,6,11-12,14H2,1-5H3,(H,28,29)(H2,25,27,33)(H,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of bacterially expressed activated p38alpha pre-incubated 10 mins measured after 45 mins by scintillation counting				Bioorg Med Chem Lett 20: 5864-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.102 BindingDB Entry DOI: 10.7270/Q22F7NP6
					More data for this Ligand-Target Pair				3D Structure (crystal)