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BDBM50307315 (2-Dimethylaminomethyl-phenyl)-carbamic acid 2-(2-carbamimidoylbenzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester::CHEMBL597758

SMILES: CN(C)Cc1ccccc1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1

InChI Key: InChIKey=IRTLDLFAEDDTRD-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 = 50307315   
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))
BDBM50307315
PNG
((2-Dimethylaminomethyl-phenyl)-carbamic acid 2-(2-...)
Show SMILES CN(C)Cc1ccccc1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1
Show InChI InChI=1S/C27H28N4O3S/c1-31(2)16-19-11-6-7-12-21(19)30-27(32)33-17-23(18-9-4-3-5-10-18)34-22-13-8-14-24-20(22)15-25(35-24)26(28)29/h3-15,23H,16-17H2,1-2H3,(H3,28,29)(H,30,32)
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Article
PubMed
8n/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))
BDBM50307315
PNG
((2-Dimethylaminomethyl-phenyl)-carbamic acid 2-(2-...)
Show SMILES CN(C)Cc1ccccc1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1
Show InChI InChI=1S/C27H28N4O3S/c1-31(2)16-19-11-6-7-12-21(19)30-27(32)33-17-23(18-9-4-3-5-10-18)34-22-13-8-14-24-20(22)15-25(35-24)26(28)29/h3-15,23H,16-17H2,1-2H3,(H3,28,29)(H,30,32)
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Article
PubMed
609n/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))
BDBM50307315
PNG
((2-Dimethylaminomethyl-phenyl)-carbamic acid 2-(2-...)
Show SMILES CN(C)Cc1ccccc1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1
Show InChI InChI=1S/C27H28N4O3S/c1-31(2)16-19-11-6-7-12-21(19)30-27(32)33-17-23(18-9-4-3-5-10-18)34-22-13-8-14-24-20(22)15-25(35-24)26(28)29/h3-15,23H,16-17H2,1-2H3,(H3,28,29)(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
828n/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