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BDBM50215420 4-({2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-2-oxo-1,2-dihydropyrazin-1-yl]ethyl}sulfamoyl)benzene-1-carboximidamide::CHEMBL389527

SMILES: NC(=N)c1ccc(cc1)S(=O)(=O)NCCn1c(c(Cl)nc(NC2CCC2)c1=O)-c1cccc(N)c1

InChI Key: InChIKey=SDKQVJOMLLWQKD-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50215420   
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 X


(Homo sapiens (Human))
BDBM50215420
PNG
(4-({2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylami...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCCn1c(c(Cl)nc(NC2CCC2)c1=O)-c1cccc(N)c1
Show InChI InChI=1S/C23H26ClN7O3S/c24-20-19(15-3-1-4-16(25)13-15)31(23(32)22(30-20)29-17-5-2-6-17)12-11-28-35(33,34)18-9-7-14(8-10-18)21(26)27/h1,3-4,7-10,13,17,28H,2,5-6,11-12,25H2,(H3,26,27)(H,29,30)
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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
Prothrombin


(Homo sapiens (Human))
BDBM50215420
PNG
(4-({2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylami...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCCn1c(c(Cl)nc(NC2CCC2)c1=O)-c1cccc(N)c1
Show InChI InChI=1S/C23H26ClN7O3S/c24-20-19(15-3-1-4-16(25)13-15)31(23(32)22(30-20)29-17-5-2-6-17)12-11-28-35(33,34)18-9-7-14(8-10-18)21(26)27/h1,3-4,7-10,13,17,28H,2,5-6,11-12,25H2,(H3,26,27)(H,29,30)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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 VII


(Homo sapiens (Human))
BDBM50215420
PNG
(4-({2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylami...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCCn1c(c(Cl)nc(NC2CCC2)c1=O)-c1cccc(N)c1
Show InChI InChI=1S/C23H26ClN7O3S/c24-20-19(15-3-1-4-16(25)13-15)31(23(32)22(30-20)29-17-5-2-6-17)12-11-28-35(33,34)18-9-7-14(8-10-18)21(26)27/h1,3-4,7-10,13,17,28H,2,5-6,11-12,25H2,(H3,26,27)(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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