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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 = 'BDBM50087641'   
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))
BDBM50087641
PNG
(3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...)
Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1
Show InChI InChI=1S/C25H39N9O7S/c26-24(27)33-9-6-15(7-10-33)12-19(32-42(40,41)14-16-3-1-4-17(11-16)23(38)39)21(36)30-13-20(35)31-18-5-2-8-34(22(18)37)25(28)29/h1,3-4,11,15,18-19,22,32,37H,2,5-10,12-14H2,(H3,26,27)(H3,28,29)(H,30,36)(H,31,35)(H,38,39)/t18-,19+,22?/m0/s1
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PC cid
PC sid
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Similars

PubMed
16n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human trypsin.


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))
BDBM50087641
PNG
(3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...)
Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1
Show InChI InChI=1S/C25H39N9O7S/c26-24(27)33-9-6-15(7-10-33)12-19(32-42(40,41)14-16-3-1-4-17(11-16)23(38)39)21(36)30-13-20(35)31-18-5-2-8-34(22(18)37)25(28)29/h1,3-4,11,15,18-19,22,32,37H,2,5-10,12-14H2,(H3,26,27)(H3,28,29)(H,30,36)(H,31,35)(H,38,39)/t18-,19+,22?/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 4.30n/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