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BDBM50307308 (R)-(4-Methoxy-phenyl)-carbamic acid 2-(2-carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester::CHEMBL596968

SMILES: COc1ccc(NC(=O)OC[C@H](Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1

InChI Key: InChIKey=IEKKKOCYKOJJBP-RNZRUAGMNA-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 = 50307308   
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))
BDBM50307308
PNG
((R)-(4-Methoxy-phenyl)-carbamic acid 2-(2-carbamim...)
Show SMILES COc1ccc(NC(=O)OC[C@H](Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1
Show InChI InChI=1/C25H23N3O4S/c1-30-18-12-10-17(11-13-18)28-25(29)31-15-21(16-6-3-2-4-7-16)32-20-8-5-9-22-19(20)14-23(33-22)24(26)27/h2-14,21H,15H2,1H3,(H3,26,27)(H,28,29)/t21-/s2
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Article
PubMed
3n/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))
BDBM50307308
PNG
((R)-(4-Methoxy-phenyl)-carbamic acid 2-(2-carbamim...)
Show SMILES COc1ccc(NC(=O)OC[C@H](Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1
Show InChI InChI=1/C25H23N3O4S/c1-30-18-12-10-17(11-13-18)28-25(29)31-15-21(16-6-3-2-4-7-16)32-20-8-5-9-22-19(20)14-23(33-22)24(26)27/h2-14,21H,15H2,1H3,(H3,26,27)(H,28,29)/t21-/s2
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Article
PubMed
89n/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))
BDBM50307308
PNG
((R)-(4-Methoxy-phenyl)-carbamic acid 2-(2-carbamim...)
Show SMILES COc1ccc(NC(=O)OC[C@H](Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1
Show InChI InChI=1/C25H23N3O4S/c1-30-18-12-10-17(11-13-18)28-25(29)31-15-21(16-6-3-2-4-7-16)32-20-8-5-9-22-19(20)14-23(33-22)24(26)27/h2-14,21H,15H2,1H3,(H3,26,27)(H,28,29)/t21-/s2
PDB
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
600n/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