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BDBM50149085 2-[2-(5-Bromo-thiophen-2-yl)-1H-benzoimidazol-5-yl]-N-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-acetamide::CHEMBL419608

SMILES: Brc1ccc(s1)-c1nc2ccc(CC(=O)Nc3ccc(cc3)-n3ccccc3=O)cc2[nH]1

InChI Key: InChIKey=USIINOACWLOALU-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50149085   
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))
BDBM50149085
PNG
(2-[2-(5-Bromo-thiophen-2-yl)-1H-benzoimidazol-5-yl...)
Show SMILES Brc1ccc(s1)-c1nc2ccc(CC(=O)Nc3ccc(cc3)-n3ccccc3=O)cc2[nH]1
Show InChI InChI=1S/C24H17BrN4O2S/c25-21-11-10-20(32-21)24-27-18-9-4-15(13-19(18)28-24)14-22(30)26-16-5-7-17(8-6-16)29-12-2-1-3-23(29)31/h1-13H,14H2,(H,26,30)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50149085
PNG
(2-[2-(5-Bromo-thiophen-2-yl)-1H-benzoimidazol-5-yl...)
Show SMILES Brc1ccc(s1)-c1nc2ccc(CC(=O)Nc3ccc(cc3)-n3ccccc3=O)cc2[nH]1
Show InChI InChI=1S/C24H17BrN4O2S/c25-21-11-10-20(32-21)24-27-18-9-4-15(13-19(18)28-24)14-22(30)26-16-5-7-17(8-6-16)29-12-2-1-3-23(29)31/h1-13H,14H2,(H,26,30)(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50149085
PNG
(2-[2-(5-Bromo-thiophen-2-yl)-1H-benzoimidazol-5-yl...)
Show SMILES Brc1ccc(s1)-c1nc2ccc(CC(=O)Nc3ccc(cc3)-n3ccccc3=O)cc2[nH]1
Show InChI InChI=1S/C24H17BrN4O2S/c25-21-11-10-20(32-21)24-27-18-9-4-15(13-19(18)28-24)14-22(30)26-16-5-7-17(8-6-16)29-12-2-1-3-23(29)31/h1-13H,14H2,(H,26,30)(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/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