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SMILES: OC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1

InChI Key: InChIKey=YPAJYCVUCIUYLQ-UHFFFAOYSA-N

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   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 = 50376420   
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 V


(Homo sapiens (Human))
BDBM50376420
PNG
(CHEMBL1162110)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C22H16Cl2N2O5/c23-14-7-10-19(17(24)11-14)31-12-20(27)25-15-8-5-13(6-9-15)21(28)26-18-4-2-1-3-16(18)22(29)30/h1-11H,12H2,(H,25,27)(H,26,28)(H,29,30)
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PC cid
PC sid
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Article
PubMed
n/an/a 4.06E+4n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of factor 5a-mediated prothrombin activation in human plasma by prothrombinase assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)


Article DOI: 10.1073/pnas.0701051104
BindingDB Entry DOI: 10.7270/Q2F190MG
More data for this
Ligand-Target Pair
Coagulation factor V


(Homo sapiens (Human))
BDBM50376420
PNG
(CHEMBL1162110)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C22H16Cl2N2O5/c23-14-7-10-19(17(24)11-14)31-12-20(27)25-15-8-5-13(6-9-15)21(28)26-18-4-2-1-3-16(18)22(29)30/h1-11H,12H2,(H,25,27)(H,26,28)(H,29,30)
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Article
PubMed
n/an/a 1.41E+4n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of human factor 5a light chain binding to immobilized phospholipid by surface plasmon resonance assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)


Article DOI: 10.1073/pnas.0701051104
BindingDB Entry DOI: 10.7270/Q2F190MG
More data for this
Ligand-Target Pair
Coagulation factor V


(Homo sapiens (Human))
BDBM50376420
PNG
(CHEMBL1162110)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C22H16Cl2N2O5/c23-14-7-10-19(17(24)11-14)31-12-20(27)25-15-8-5-13(6-9-15)21(28)26-18-4-2-1-3-16(18)22(29)30/h1-11H,12H2,(H,25,27)(H,26,28)(H,29,30)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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PC cid
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UniChem

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Article
PubMed
n/an/a 1.64E+4n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 5a C2 domain binding to immobilized phospholipid by surface plasmon resonance assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)


Article DOI: 10.1073/pnas.0701051104
BindingDB Entry DOI: 10.7270/Q2F190MG
More data for this
Ligand-Target Pair