BDBM17075 5-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)-7-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one::pyrimido-pyrimidine, 35

SMILES: CN(C)CCN1CCN(CC1)c1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl

InChI Key: InChIKey=OJBGOJDIJOUKKY-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 17075   

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
MAP kinase p38 (Mus musculus (mouse))	BDBM17075 (5-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)-7-{4...) Show SMILES CN(C)CCN1CCN(CC1)c1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H27Cl4N7O/c1-34(2)8-9-35-10-12-36(13-11-35)25-32-22(17-7-6-16(27)14-21(17)30)18-15-31-26(38)37(24(18)33-25)23-19(28)4-3-5-20(23)29/h3-7,14H,8-13,15H2,1-2H3,(H,31,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	30
Merck Research Laboratories					Assay Description The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the rea...				Bioorg Med Chem Lett 16: 4400-4 (2006) Article DOI: 10.1016/j.bmcl.2006.05.045 BindingDB Entry DOI: 10.7270/Q2NS0S56
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