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BDBM50187906 CHEMBL210067::N-(3-aminopropyl)-N-(1-(3-benzyl-6-chloro-4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)propyl)-4-methylbenzamide

SMILES: CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nn2cc(Cl)cc2c(=O)n1Cc1ccccc1

InChI Key: InChIKey=HLMSMLBYLICYCM-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50187906   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50187906
PNG
(CHEMBL210067 | N-(3-aminopropyl)-N-(1-(3-benzyl-6-...)
Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nn2cc(Cl)cc2c(=O)n1Cc1ccccc1
Show InChI InChI=1/C27H30ClN5O2/c1-3-23(31(15-7-14-29)26(34)21-12-10-19(2)11-13-21)25-30-33-18-22(28)16-24(33)27(35)32(25)17-20-8-5-4-6-9-20/h4-6,8-13,16,18,23H,3,7,14-15,17,29H2,1-2H3
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MMDB

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Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Eg5 ATPase activity


Bioorg Med Chem Lett 16: 3937-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.037
BindingDB Entry DOI: 10.7270/Q2RV0PGM
More data for this
Ligand-Target Pair