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PubMed code 10757731

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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KEGG

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MCE
KEGG
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PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in ram seminal vesicle microsomes assessed as reduction of PGE2 formation

J Nat Prod 63: 403-5 (2000)


BindingDB Entry DOI: 10.7270/Q22R3RDF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50269153
PNG
((-)-(R)-5-methoxy-2,3-dihydrofuro[2,3-g][3]-benzox...)
Show SMILES COc1cc2C[C@@H](Oc2c2C=COC=Cc12)C(C)(C)O |r,c:11,14|
Show InChI InChI=1S/C16H18O4/c1-16(2,17)14-9-10-8-13(18-3)11-4-6-19-7-5-12(11)15(10)20-14/h4-8,14,17H,9H2,1-3H3/t14-/m1/s1
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KEGG

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PubMed
n/an/a 2.32E+4n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in ram seminal vesicle microsomes assessed as reduction of PGE2 formation

J Nat Prod 63: 403-5 (2000)


BindingDB Entry DOI: 10.7270/Q22R3RDF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50269162
PNG
(5-methoxyfuro[2,3-g][3]benzoxepin | CHEMBL501403)
Show SMILES COc1cc2cc(oc2c2C=COC=Cc12)C(C)(C)O |c:11,14|
Show InChI InChI=1S/C16H16O4/c1-16(2,17)14-9-10-8-13(18-3)11-4-6-19-7-5-12(11)15(10)20-14/h4-9,17H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
PubMed
n/an/a 3.04E+4n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in ram seminal vesicle microsomes assessed as reduction of PGE2 formation

J Nat Prod 63: 403-5 (2000)


BindingDB Entry DOI: 10.7270/Q22R3RDF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%