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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50087640'   
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 X


(Homo sapiens (Human))
BDBM50087640
PNG
(2-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...)
Show SMILES COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CC1CCCN(C1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-8-3-2-7-17(18)15-43(40,41)33-20(12-16-6-4-10-34(14-16)25(27)28)22(37)31-13-21(36)32-19-9-5-11-35(23(19)38)26(29)30/h2-3,7-8,16,19-20,23,33,38H,4-6,9-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t16?,19-,20+,23?/m0/s1
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PC cid
PC sid
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Similars

PubMed
n/an/a 1.37n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VCAM binding to VLA-4 of Ramos cells in ELISA


Bioorg Med Chem Lett 10: 745-9 (2000)


BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50087640
PNG
(2-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...)
Show SMILES COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CC1CCCN(C1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-8-3-2-7-17(18)15-43(40,41)33-20(12-16-6-4-10-34(14-16)25(27)28)22(37)31-13-21(36)32-19-9-5-11-35(23(19)38)26(29)30/h2-3,7-8,16,19-20,23,33,38H,4-6,9-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t16?,19-,20+,23?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.40n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human Coagulation factor X.


Bioorg Med Chem Lett 10: 745-9 (2000)


BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair