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BDBM50149092 2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-yl]-N-[3-methyl-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-acetamide::CHEMBL337921

SMILES: Cc1cc(NC(=O)Cc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)ccc1-n1ccccc1=O

InChI Key: InChIKey=AVCFRWNDECUPNG-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50149092   
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
Trypsin


(Homo sapiens (Human))
BDBM50149092
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Cc1cc(NC(=O)Cc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)ccc1-n1ccccc1=O
Show InChI InChI=1S/C25H19ClN4O2S/c1-15-12-17(6-8-20(15)30-11-3-2-4-24(30)32)27-23(31)14-16-5-7-18-19(13-16)29-25(28-18)21-9-10-22(26)33-21/h2-13H,14H2,1H3,(H,27,31)(H,28,29)
PDB

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UniProtKB/TrEMBL

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PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity against human trypsin


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50149092
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Cc1cc(NC(=O)Cc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)ccc1-n1ccccc1=O
Show InChI InChI=1S/C25H19ClN4O2S/c1-15-12-17(6-8-20(15)30-11-3-2-4-24(30)32)27-23(31)14-16-5-7-18-19(13-16)29-25(28-18)21-9-10-22(26)33-21/h2-13H,14H2,1H3,(H,27,31)(H,28,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity of the compoumd to human coagulation factor Xa


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149092
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Cc1cc(NC(=O)Cc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)ccc1-n1ccccc1=O
Show InChI InChI=1S/C25H19ClN4O2S/c1-15-12-17(6-8-20(15)30-11-3-2-4-24(30)32)27-23(31)14-16-5-7-18-19(13-16)29-25(28-18)21-9-10-22(26)33-21/h2-13H,14H2,1H3,(H,27,31)(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin.


Bioorg Med Chem Lett 14: 3763-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.097
BindingDB Entry DOI: 10.7270/Q25H7FQS
More data for this
Ligand-Target Pair