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BDBM50008802 7-[3-(5-Phenyl-pentyl)-3-pyridin-3-yl-bicyclo[2.2.1]hept-2-yl]-hept-5-enoic acid::CHEMBL301520

SMILES: OC(=O)CCC\C=C/C[C@@H]1C2CCC(C2)[C@@]1(CCCCCc1ccccc1)c1cccnc1

InChI Key: InChIKey=ZGWGWOFPXXCIAL-MKCIBESISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50008802   
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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50008802
PNG
(7-[3-(5-Phenyl-pentyl)-3-pyridin-3-yl-bicyclo[2.2....)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1C2CCC(C2)[C@@]1(CCCCCc1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H39NO2/c32-29(33)17-9-2-1-8-16-28-25-18-19-26(22-25)30(28,27-15-11-21-31-23-27)20-10-4-7-14-24-12-5-3-6-13-24/h1,3,5-6,8,11-13,15,21,23,25-26,28H,2,4,7,9-10,14,16-20,22H2,(H,32,33)/b8-1-/t25?,26?,28-,30+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 790n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase using [14C]-arachidonic acid


J Med Chem 34: 1790-7 (1991)


Article DOI: 10.1021/jm00110a006
BindingDB Entry DOI: 10.7270/Q2BR8R47
More data for this
Ligand-Target Pair