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BDBM50215419 CHEMBL243537::N-((1-amino-4-oxo-3,4-dihydrophthalazin-6-yl)methyl)-2-(6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-2-oxopyrazin-1(2H)-yl)acetamide

SMILES: Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(N)n[nH]c(=O)c2c1

InChI Key: InChIKey=IBFGWMAGFFTUJG-UHFFFAOYSA-N

Data: 3 IC50

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 = 50215419   
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 VII


(Homo sapiens (Human))
BDBM50215419
PNG
(CHEMBL243537 | N-((1-amino-4-oxo-3,4-dihydrophthal...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(N)n[nH]c(=O)c2c1
Show InChI InChI=1S/C25H25ClN8O3/c26-21-20(14-3-1-4-15(27)10-14)34(25(37)23(31-21)30-16-5-2-6-16)12-19(35)29-11-13-7-8-17-18(9-13)24(36)33-32-22(17)28/h1,3-4,7-10,16H,2,5-6,11-12,27H2,(H2,28,32)(H,29,35)(H,30,31)(H,33,36)
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 7a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50215419
PNG
(CHEMBL243537 | N-((1-amino-4-oxo-3,4-dihydrophthal...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(N)n[nH]c(=O)c2c1
Show InChI InChI=1S/C25H25ClN8O3/c26-21-20(14-3-1-4-15(27)10-14)34(25(37)23(31-21)30-16-5-2-6-16)12-19(35)29-11-13-7-8-17-18(9-13)24(36)33-32-22(17)28/h1,3-4,7-10,16H,2,5-6,11-12,27H2,(H2,28,32)(H,29,35)(H,30,31)(H,33,36)
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 2a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50215419
PNG
(CHEMBL243537 | N-((1-amino-4-oxo-3,4-dihydrophthal...)
Show SMILES Nc1cccc(c1)-c1c(Cl)nc(NC2CCC2)c(=O)n1CC(=O)NCc1ccc2c(N)n[nH]c(=O)c2c1
Show InChI InChI=1S/C25H25ClN8O3/c26-21-20(14-3-1-4-15(27)10-14)34(25(37)23(31-21)30-16-5-2-6-16)12-19(35)29-11-13-7-8-17-18(9-13)24(36)33-32-22(17)28/h1,3-4,7-10,16H,2,5-6,11-12,27H2,(H2,28,32)(H,29,35)(H,30,31)(H,33,36)
PDB
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Reactome pathway
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antibodypedia
GoogleScholar
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PC sid
UniChem

Patents


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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 4568-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.090
BindingDB Entry DOI: 10.7270/Q2319VK8
More data for this
Ligand-Target Pair