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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vitamin K-dependent protein C' and Ligand = 'BDBM50193235'   
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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193235
PNG
(CHEMBL215870 | {(R)-1-[6-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2cccnc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H30N6O4/c1-14(2)20(28-13-19(31)32)22(33)30-24(10-17-4-3-9-27-18(17)11-24)23(34)29-12-15-5-7-16(8-6-15)21(25)26/h3-9,14,20,28H,10-13H2,1-2H3,(H3,25,26)(H,29,34)(H,30,33)(H,31,32)/t20-,24?/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.07E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193235
PNG
(CHEMBL215870 | {(R)-1-[6-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2cccnc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H30N6O4/c1-14(2)20(28-13-19(31)32)22(33)30-24(10-17-4-3-9-27-18(17)11-24)23(34)29-12-15-5-7-16(8-6-15)21(25)26/h3-9,14,20,28H,10-13H2,1-2H3,(H3,25,26)(H,29,34)(H,30,33)(H,31,32)/t20-,24?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.14E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair