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BDBM50307297 4-[1-Phenyl-2-(3-phenyl-ureido)-ethoxy]-benzo[b]thiophene-2-carboxamidine::CHEMBL597570

SMILES: NC(=N)c1cc2c(OC(CNC(=O)Nc3ccccc3)c3ccccc3)cccc2s1

InChI Key: InChIKey=YDLRKIGZKOOXGX-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 = 50307297   
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))
BDBM50307297
PNG
(4-[1-Phenyl-2-(3-phenyl-ureido)-ethoxy]-benzo[b]th...)
Show SMILES NC(=N)c1cc2c(OC(CNC(=O)Nc3ccccc3)c3ccccc3)cccc2s1
Show InChI InChI=1S/C24H22N4O2S/c25-23(26)22-14-18-19(12-7-13-21(18)31-22)30-20(16-8-3-1-4-9-16)15-27-24(29)28-17-10-5-2-6-11-17/h1-14,20H,15H2,(H3,25,26)(H2,27,28,29)
PDB
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29n/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))
BDBM50307297
PNG
(4-[1-Phenyl-2-(3-phenyl-ureido)-ethoxy]-benzo[b]th...)
Show SMILES NC(=N)c1cc2c(OC(CNC(=O)Nc3ccccc3)c3ccccc3)cccc2s1
Show InChI InChI=1S/C24H22N4O2S/c25-23(26)22-14-18-19(12-7-13-21(18)31-22)30-20(16-8-3-1-4-9-16)15-27-24(29)28-17-10-5-2-6-11-17/h1-14,20H,15H2,(H3,25,26)(H2,27,28,29)
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Article
PubMed
250n/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))
BDBM50307297
PNG
(4-[1-Phenyl-2-(3-phenyl-ureido)-ethoxy]-benzo[b]th...)
Show SMILES NC(=N)c1cc2c(OC(CNC(=O)Nc3ccccc3)c3ccccc3)cccc2s1
Show InChI InChI=1S/C24H22N4O2S/c25-23(26)22-14-18-19(12-7-13-21(18)31-22)30-20(16-8-3-1-4-9-16)15-27-24(29)28-17-10-5-2-6-11-17/h1-14,20H,15H2,(H3,25,26)(H2,27,28,29)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
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CHEMBL
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PC sid
UniChem

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Article
PubMed
960n/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