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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 = 'BDBM50081092'   
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))
BDBM50081092
PNG
(CHEMBL85238 | N-((S)-1-Carbamimidoyl-2-hydroxy-pip...)
Show SMILES COc1ccc2N(CC(=O)N[C@H]3CCCN(C3O)C(N)=N)C(=O)[C@H](CCc2c1)NS(=O)(=O)CC1CCCCC1
Show InChI InChI=1S/C26H40N6O6S/c1-38-19-10-12-22-18(14-19)9-11-21(30-39(36,37)16-17-6-3-2-4-7-17)25(35)32(22)15-23(33)29-20-8-5-13-31(24(20)34)26(27)28/h10,12,14,17,20-21,24,30,34H,2-9,11,13,15-16H2,1H3,(H3,27,28)(H,29,33)/t20-,21-,24?/m0/s1
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PC cid
PC sid
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n/an/a 1.90n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human enzyme Coagulation factor X


Bioorg Med Chem Lett 9: 2573-8 (1999)


BindingDB Entry DOI: 10.7270/Q26M361R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50081092
PNG
(CHEMBL85238 | N-((S)-1-Carbamimidoyl-2-hydroxy-pip...)
Show SMILES COc1ccc2N(CC(=O)N[C@H]3CCCN(C3O)C(N)=N)C(=O)[C@H](CCc2c1)NS(=O)(=O)CC1CCCCC1
Show InChI InChI=1S/C26H40N6O6S/c1-38-19-10-12-22-18(14-19)9-11-21(30-39(36,37)16-17-6-3-2-4-7-17)25(35)32(22)15-23(33)29-20-8-5-13-31(24(20)34)26(27)28/h10,12,14,17,20-21,24,30,34H,2-9,11,13,15-16H2,1H3,(H3,27,28)(H,29,33)/t20-,21-,24?/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 9.90n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human prothrombinase


Bioorg Med Chem Lett 9: 2573-8 (1999)


BindingDB Entry DOI: 10.7270/Q26M361R
More data for this
Ligand-Target Pair