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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 = 'BDBM50093057'   
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))
BDBM50093057
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@H]1CCCC(C1O)C(N)=N)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H38N8O5S/c1-31(13-19(32)29-17-10-5-9-16(20(17)33)21(24)25)22(34)18(11-6-12-28-23(26)27)30-37(35,36)14-15-7-3-2-4-8-15/h2-4,7-8,16-18,20,30,33H,5-6,9-14H2,1H3,(H3,24,25)(H,29,32)(H4,26,27,28)/t16?,17-,18+,20?/m0/s1
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PC cid
PC sid
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PubMed
n/an/a 0.860n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 2305-9 (2001)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093057
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@H]1CCCC(C1O)C(N)=N)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H38N8O5S/c1-31(13-19(32)29-17-10-5-9-16(20(17)33)21(24)25)22(34)18(11-6-12-28-23(26)27)30-37(35,36)14-15-7-3-2-4-8-15/h2-4,7-8,16-18,20,30,33H,5-6,9-14H2,1H3,(H3,24,25)(H,29,32)(H4,26,27,28)/t16?,17-,18+,20?/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 3.40n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity against prothrombinase (PTase) complex


Bioorg Med Chem Lett 10: 2305-9 (2001)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair