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BDBM50149084 2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-yl]-N-(3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-4-ylmethyl)-acetamide::CHEMBL126208

SMILES: Clc1ccc(s1)-c1nc2ccc(CC(=O)NCC3CCN(CC3)c3ccncc3)cc2[nH]1

InChI Key: InChIKey=XIDQDPPMVSCHMG-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 = 50149084   
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))
BDBM50149084
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(CC(=O)NCC3CCN(CC3)c3ccncc3)cc2[nH]1
Show InChI InChI=1S/C24H24ClN5OS/c25-22-4-3-21(32-22)24-28-19-2-1-17(13-20(19)29-24)14-23(31)27-15-16-7-11-30(12-8-16)18-5-9-26-10-6-18/h1-6,9-10,13,16H,7-8,11-12,14-15H2,(H,27,31)(H,28,29)
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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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50149084
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(CC(=O)NCC3CCN(CC3)c3ccncc3)cc2[nH]1
Show InChI InChI=1S/C24H24ClN5OS/c25-22-4-3-21(32-22)24-28-19-2-1-17(13-20(19)29-24)14-23(31)27-15-16-7-11-30(12-8-16)18-5-9-26-10-6-18/h1-6,9-10,13,16H,7-8,11-12,14-15H2,(H,27,31)(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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))
BDBM50149084
PNG
(2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...)
Show SMILES Clc1ccc(s1)-c1nc2ccc(CC(=O)NCC3CCN(CC3)c3ccncc3)cc2[nH]1
Show InChI InChI=1S/C24H24ClN5OS/c25-22-4-3-21(32-22)24-28-19-2-1-17(13-20(19)29-24)14-23(31)27-15-16-7-11-30(12-8-16)18-5-9-26-10-6-18/h1-6,9-10,13,16H,7-8,11-12,14-15H2,(H,27,31)(H,28,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 14n/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