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BDBM50111961 1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1-methyl-1H-benzoimidazol-2-ylmethyl)-piperazin-2-one::CHEMBL174409

SMILES: Cn1c(CN2CCN(Cc3ccc4c(N)ncnc4c3)C(=O)C2)nc2ccc(Cl)cc12

InChI Key: InChIKey=IGIWBKNHJHMYIS-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111961   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50111961
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1-me...)
Show SMILES Cn1c(CN2CCN(Cc3ccc4c(N)ncnc4c3)C(=O)C2)nc2ccc(Cl)cc12
Show InChI InChI=1S/C22H22ClN7O/c1-28-19-9-15(23)3-5-17(19)27-20(28)11-29-6-7-30(21(31)12-29)10-14-2-4-16-18(8-14)25-13-26-22(16)24/h2-5,8-9,13H,6-7,10-12H2,1H3,(H2,24,25,26)
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
290n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair