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BDBM50424061 CHEMBL2314744

SMILES: COc1cc2CCN3Cc4c(C[C@@H]3c2cc1OC)ccc(OC)c4O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=XAIYZGMNNQVTPY-BRJISNDLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50424061   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424061
PNG
(CHEMBL2314744)
Show SMILES COc1cc2CCN3Cc4c(C[C@@H]3c2cc1OC)ccc(OC)c4O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C26H33NO9/c1-32-18-5-4-13-8-17-15-10-20(34-3)19(33-2)9-14(15)6-7-27(17)11-16(13)25(18)36-26-24(31)23(30)22(29)21(12-28)35-26/h4-5,9-10,17,21-24,26,28-31H,6-8,11-12H2,1-3H3/t17-,21-,22-,23+,24-,26+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair