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BDBM50307290 1-{4-[2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phenyl-acetylamino]-phenyl}-1H-imidazole-2-carboxylic acid ethyl ester::CHEMBL604500

SMILES: CCOC(=O)c1nccn1-c1ccc(NC(=O)C(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1

InChI Key: InChIKey=QNQQOCOEVIOOFR-UHFFFAOYSA-N

Data: 3 KI

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 = 50307290   
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))
BDBM50307290
PNG
(1-{4-[2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)...)
Show SMILES CCOC(=O)c1nccn1-c1ccc(NC(=O)C(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1
Show InChI InChI=1S/C29H25N5O4S/c1-2-37-29(36)27-32-15-16-34(27)20-13-11-19(12-14-20)33-28(35)25(18-7-4-3-5-8-18)38-22-9-6-10-23-21(22)17-24(39-23)26(30)31/h3-17,25H,2H2,1H3,(H3,30,31)(H,33,35)
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PC sid
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2.60n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of factor 10a by amidolytic assay


J Med Chem 53: 1473-82 (2010)


Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50307290
PNG
(1-{4-[2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)...)
Show SMILES CCOC(=O)c1nccn1-c1ccc(NC(=O)C(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1
Show InChI InChI=1S/C29H25N5O4S/c1-2-37-29(36)27-32-15-16-34(27)20-13-11-19(12-14-20)33-28(35)25(18-7-4-3-5-8-18)38-22-9-6-10-23-21(22)17-24(39-23)26(30)31/h3-17,25H,2H2,1H3,(H3,30,31)(H,33,35)
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Article
PubMed
190n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of uPA


J Med Chem 53: 1473-82 (2010)


Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50307290
PNG
(1-{4-[2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)...)
Show SMILES CCOC(=O)c1nccn1-c1ccc(NC(=O)C(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1
Show InChI InChI=1S/C29H25N5O4S/c1-2-37-29(36)27-32-15-16-34(27)20-13-11-19(12-14-20)33-28(35)25(18-7-4-3-5-8-18)38-22-9-6-10-23-21(22)17-24(39-23)26(30)31/h3-17,25H,2H2,1H3,(H3,30,31)(H,33,35)
PDB
MMDB

Reactome pathway
KEGG

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
420n/an/an/an/an/an/an/an/a



Trigen Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay


J Med Chem 53: 1473-82 (2010)


Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N
More data for this
Ligand-Target Pair