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BDBM50307278 CHEMBL602083::Phenyl-carbamic acid 2-(2-carbamimidoyl-6-fluoro-benzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester

SMILES: NC(=N)c1cc2c(OC(COC(=O)Nc3ccccc3)c3ccccc3)cc(F)cc2s1

InChI Key: InChIKey=CXQSAMSPGIRXHH-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50307278   
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))
BDBM50307278
PNG
(CHEMBL602083 | Phenyl-carbamic acid 2-(2-carbamimi...)
Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3ccccc3)c3ccccc3)cc(F)cc2s1
Show InChI InChI=1S/C24H20FN3O3S/c25-16-11-19(18-13-22(23(26)27)32-21(18)12-16)31-20(15-7-3-1-4-8-15)14-30-24(29)28-17-9-5-2-6-10-17/h1-13,20H,14H2,(H3,26,27)(H,28,29)
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Article
PubMed
15.5n/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50307278
PNG
(CHEMBL602083 | Phenyl-carbamic acid 2-(2-carbamimi...)
Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3ccccc3)c3ccccc3)cc(F)cc2s1
Show InChI InChI=1S/C24H20FN3O3S/c25-16-11-19(18-13-22(23(26)27)32-21(18)12-16)31-20(15-7-3-1-4-8-15)14-30-24(29)28-17-9-5-2-6-10-17/h1-13,20H,14H2,(H3,26,27)(H,28,29)
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Article
PubMed
1.59E+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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50307278
PNG
(CHEMBL602083 | Phenyl-carbamic acid 2-(2-carbamimi...)
Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3ccccc3)c3ccccc3)cc(F)cc2s1
Show InChI InChI=1S/C24H20FN3O3S/c25-16-11-19(18-13-22(23(26)27)32-21(18)12-16)31-20(15-7-3-1-4-8-15)14-30-24(29)28-17-9-5-2-6-10-17/h1-13,20H,14H2,(H3,26,27)(H,28,29)
PDB
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UniChem

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Article
PubMed
2.12E+3n/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