BDBM35642 pyrimidylpyrrole, 9a

SMILES Cc1cnc(Nc2ccccc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1

InChI Key InChIKey=AICUOEJPCSKION-OAQYLSRUSA-N

Data  4 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 35642   

TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandBDBM35642(pyrimidylpyrrole, 9a)Copy SMILESCopy InChI

Affinity DataKi: <2nM ΔG°: <-12.1kcal/molepH: 7.5 T: 2°CAssay Description:A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoMMDBPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
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