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BDBM50187895 CHEMBL380294::N-(3-aminopropyl)-N-((3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl)-4-methylbenzamide

SMILES: Cc1ccc(cc1)C(=O)N(CCCN)C(C1CC1)c1nn2ccc(Cl)c2c(=O)n1Cc1ccccc1

InChI Key: InChIKey=IKORZPHBTIOSSU-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 = 50187895   
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)
BDBM50187895
PNG
(CHEMBL380294 | N-(3-aminopropyl)-N-((3-benzyl-5-ch...)
Show SMILES Cc1ccc(cc1)C(=O)N(CCCN)C(C1CC1)c1nn2ccc(Cl)c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C28H30ClN5O2/c1-19-8-10-22(11-9-19)27(35)32(16-5-15-30)24(21-12-13-21)26-31-34-17-14-23(29)25(34)28(36)33(26)18-20-6-3-2-4-7-20/h2-4,6-11,14,17,21,24H,5,12-13,15-16,18,30H2,1H3
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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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)