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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50087635'   
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))
BDBM50087635
PNG
(((R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-...)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C22H35N9O5/c23-20(24)27-10-4-8-15(30-22(35)36-13-14-6-2-1-3-7-14)18(33)28-12-17(32)29-16-9-5-11-31(19(16)34)21(25)26/h1-3,6-7,15-16,19,34H,4-5,8-13H2,(H3,25,26)(H,28,33)(H,29,32)(H,30,35)(H4,23,24,27)/t15-,16+,19?/m1/s1
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n/an/a 0.900n/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50087635
PNG
(((R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-...)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C22H35N9O5/c23-20(24)27-10-4-8-15(30-22(35)36-13-14-6-2-1-3-7-14)18(33)28-12-17(32)29-16-9-5-11-31(19(16)34)21(25)26/h1-3,6-7,15-16,19,34H,4-5,8-13H2,(H3,25,26)(H,28,33)(H,29,32)(H,30,35)(H4,23,24,27)/t15-,16+,19?/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VCAM and Ramos cell VLA-4 interaction


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))
BDBM50087635
PNG
(((R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-...)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C22H35N9O5/c23-20(24)27-10-4-8-15(30-22(35)36-13-14-6-2-1-3-7-14)18(33)28-12-17(32)29-16-9-5-11-31(19(16)34)21(25)26/h1-3,6-7,15-16,19,34H,4-5,8-13H2,(H3,25,26)(H,28,33)(H,29,32)(H,30,35)(H4,23,24,27)/t15-,16+,19?/m1/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 0.900n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VCAM and Ramos cell VLA-4 interaction


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


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