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BDBM50307269 (2,6-Difluoro-phenyl)-carbamic acid 2-(2-carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester::CHEMBL605564

SMILES: NC(=N)c1cc2c(OC(COC(=O)Nc3c(F)cccc3F)c3ccccc3)cccc2s1

InChI Key: InChIKey=TXSJYFVZTQULMK-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 = 50307269   
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 IX


(Homo sapiens (Human))
BDBM50307269
PNG
((2,6-Difluoro-phenyl)-carbamic acid 2-(2-carbamimi...)
Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3c(F)cccc3F)c3ccccc3)cccc2s1
Show InChI InChI=1S/C24H19F2N3O3S/c25-16-8-4-9-17(26)22(16)29-24(30)31-13-19(14-6-2-1-3-7-14)32-18-10-5-11-20-15(18)12-21(33-20)23(27)28/h1-12,19H,13H2,(H3,27,28)(H,29,30)
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Article
PubMed
7n/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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50307269
PNG
((2,6-Difluoro-phenyl)-carbamic acid 2-(2-carbamimi...)
Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3c(F)cccc3F)c3ccccc3)cccc2s1
Show InChI InChI=1S/C24H19F2N3O3S/c25-16-8-4-9-17(26)22(16)29-24(30)31-13-19(14-6-2-1-3-7-14)32-18-10-5-11-20-15(18)12-21(33-20)23(27)28/h1-12,19H,13H2,(H3,27,28)(H,29,30)
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Article
PubMed
249n/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 X


(Homo sapiens (Human))
BDBM50307269
PNG
((2,6-Difluoro-phenyl)-carbamic acid 2-(2-carbamimi...)
Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3c(F)cccc3F)c3ccccc3)cccc2s1
Show InChI InChI=1S/C24H19F2N3O3S/c25-16-8-4-9-17(26)22(16)29-24(30)31-13-19(14-6-2-1-3-7-14)32-18-10-5-11-20-15(18)12-21(33-20)23(27)28/h1-12,19H,13H2,(H3,27,28)(H,29,30)
PDB
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UniProtKB/TrEMBL

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UniChem

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Article
PubMed
1.30E+3n/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