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BDBM50144145 1-Azetidin-1-yl-2-{4-(5-chloro-1H-indole-2-sulfonyl)-1-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-benzoyl]-piperazin-2-yl}-ethanone::CHEMBL66583

SMILES: CN1CCN=C1c1ccc(cc1)C(=O)N1CCN(CC1CC(=O)N1CCC1)S(=O)(=O)c1cc2cc(Cl)ccc2[nH]1

InChI Key: InChIKey=HSCCEKXZYGZWOB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50144145   
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))
BDBM50144145
PNG
(1-Azetidin-1-yl-2-{4-(5-chloro-1H-indole-2-sulfony...)
Show SMILES CN1CCN=C1c1ccc(cc1)C(=O)N1CCN(CC1CC(=O)N1CCC1)S(=O)(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C28H31ClN6O4S/c1-32-12-9-30-27(32)19-3-5-20(6-4-19)28(37)35-14-13-34(18-23(35)17-26(36)33-10-2-11-33)40(38,39)25-16-21-15-22(29)7-8-24(21)31-25/h3-8,15-16,23,31H,2,9-14,17-18H2,1H3
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Coagulation factor X was determined


Bioorg Med Chem Lett 14: 2073-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.049
BindingDB Entry DOI: 10.7270/Q2P84B98
More data for this
Ligand-Target Pair