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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor VII' and Ligand = 'BDBM50126579'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor VII


(Homo sapiens (Human))
BDBM50126579
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(3-...)
Show SMILES COc1cccc(c1)[C@H](C)NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1
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Article
PubMed
35n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibition of human coagulation factor VIIa


Bioorg Med Chem Lett 14: 3715-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50126579
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(3-...)
Show SMILES COc1cccc(c1)[C@H](C)NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
35n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)


Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair