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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 266.2
BDBM50022226

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50022226
PNG
(6-Imidazol-1-ylmethyl-5-methyl-naphthalene-1-carbo...)
Show SMILES Cc1c(Cn2ccnc2)ccc2c(cccc12)C(O)=O
Show InChI InChI=1S/C16H14N2O2/c1-11-12(9-18-8-7-17-10-18)5-6-14-13(11)3-2-4-15(14)16(19)20/h2-8,10H,9H2,1H3,(H,19,20)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thromboxane TXA2 synthetase from human platelets


J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Rattus norvegicus)
BDBM50022226
PNG
(6-Imidazol-1-ylmethyl-5-methyl-naphthalene-1-carbo...)
Show SMILES Cc1c(Cn2ccnc2)ccc2c(cccc12)C(O)=O
Show InChI InChI=1S/C16H14N2O2/c1-11-12(9-18-8-7-17-10-18)5-6-14-13(11)3-2-4-15(14)16(19)20/h2-8,10H,9H2,1H3,(H,19,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat adrenal 11-beta-hydroxylase


J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50022226
PNG
(6-Imidazol-1-ylmethyl-5-methyl-naphthalene-1-carbo...)
Show SMILES Cc1c(Cn2ccnc2)ccc2c(cccc12)C(O)=O
Show InChI InChI=1S/C16H14N2O2/c1-11-12(9-18-8-7-17-10-18)5-6-14-13(11)3-2-4-15(14)16(19)20/h2-8,10H,9H2,1H3,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cyclooxygenase from RBL-1 cells.


J Med Chem 29: 1643-50 (1986)


BindingDB Entry DOI: 10.7270/Q2C8289W
More data for this
Ligand-Target Pair