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BDBM50451528 CHEMBL2115305

SMILES: COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NN3CCC[C@@H]3CO)c2c1

InChI Key: InChIKey=IBWROCWYMVFROI-GOSISDBHSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50451528   
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50451528
PNG
(CHEMBL2115305)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NN3CCC[C@@H]3CO)c2c1
Show InChI InChI=1S/C24H26ClN3O4/c1-15-20(13-23(30)26-27-11-3-4-18(27)14-29)21-12-19(32-2)9-10-22(21)28(15)24(31)16-5-7-17(25)8-6-16/h5-10,12,18,29H,3-4,11,13-14H2,1-2H3,(H,26,30)/t18-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin G/H synthase 2


Bioorg Med Chem Lett 12: 1315-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00133-6
BindingDB Entry DOI: 10.7270/Q2S75FNZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50451528
PNG
(CHEMBL2115305)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NN3CCC[C@@H]3CO)c2c1
Show InChI InChI=1S/C24H26ClN3O4/c1-15-20(13-23(30)26-27-11-3-4-18(27)14-29)21-12-19(32-2)9-10-22(21)28(15)24(31)16-5-7-17(25)8-6-16/h5-10,12,18,29H,3-4,11,13-14H2,1-2H3,(H,26,30)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>8.00E+4n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration against prostaglandin G/H synthase 1


Bioorg Med Chem Lett 12: 1315-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00133-6
BindingDB Entry DOI: 10.7270/Q2S75FNZ
More data for this
Ligand-Target Pair