BDBM5414 benzyl(2-methoxyethyl)(2-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)amine::pyrazolo[1,5-a]pyrimidine 4f

SMILES: COCCN(CCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccsc1)Cc1ccccc1

InChI Key: InChIKey=SYXUIDNWCZVPRH-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 = 5414   

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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5414 (benzyl(2-methoxyethyl)(2-{4-[3-(thiophen-3-yl)pyra...) Show SMILES COCCN(CCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccsc1)Cc1ccccc1 Show InChI InChI=1S/C28H28N4O2S/c1-33-14-12-31(19-22-5-3-2-4-6-22)13-15-34-26-9-7-23(8-10-26)25-17-29-28-27(18-30-32(28)20-25)24-11-16-35-21-24/h2-11,16-18,20-21H,12-15,19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 12: 3537-41 (2002) Article DOI: 10.1016/s0960-894x(02)00827-2 BindingDB Entry DOI: 10.7270/Q2S75DHR
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