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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'hammal' and Initial = 'l'   
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


(Homo sapiens (Human))
BDBM50375323
PNG
(CHEMBL409288)
Show SMILES CC1=CC(OC(=O)N1c1ccccc1)=c1c(=C)[nH]n(-c2ccccc2)c1=O |w:3.2,t:1|
Show InChI InChI=1S/C21H17N3O3/c1-14-13-18(27-21(26)23(14)16-9-5-3-6-10-16)19-15(2)22-24(20(19)25)17-11-7-4-8-12-17/h3-13,22H,2H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.94E+4n/an/an/an/an/an/a



University of Sciences and Technology Houari Boum£di£ne

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem 16: 3059-66 (2008)


Article DOI: 10.1016/j.bmc.2007.12.033
BindingDB Entry DOI: 10.7270/Q251402X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50375324
PNG
(CHEMBL411087)
Show SMILES CC1=CC(OC(=O)N1c1ccc(C)cc1)=c1c(=C)[nH]n(-c2ccccc2)c1=O |w:3.2,t:1|
Show InChI InChI=1S/C22H19N3O3/c1-14-9-11-17(12-10-14)24-15(2)13-19(28-22(24)27)20-16(3)23-25(21(20)26)18-7-5-4-6-8-18/h4-13,23H,3H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9.12E+4n/an/an/an/an/an/a



University of Sciences and Technology Houari Boum£di£ne

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem 16: 3059-66 (2008)


Article DOI: 10.1016/j.bmc.2007.12.033
BindingDB Entry DOI: 10.7270/Q251402X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50375325
PNG
(CHEMBL407153)
Show SMILES CC1=CC(OC(=O)N1c1ccc(Cl)cc1)=c1c(=C)[nH]n(-c2ccccc2)c1=O |w:3.2,t:1|
Show InChI InChI=1S/C21H16ClN3O3/c1-13-12-18(28-21(27)24(13)16-10-8-15(22)9-11-16)19-14(2)23-25(20(19)26)17-6-4-3-5-7-17/h3-12,23H,2H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.51E+5n/an/an/an/an/an/a



University of Sciences and Technology Houari Boum£di£ne

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem 16: 3059-66 (2008)


Article DOI: 10.1016/j.bmc.2007.12.033
BindingDB Entry DOI: 10.7270/Q251402X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50375322
PNG
(CHEMBL408423)
Show SMILES COc1ccc(cc1)N1C(C)=CC(OC1=O)=c1c(=C)[nH]n(-c2ccccc2)c1=O |w:12.12,c:11|
Show InChI InChI=1S/C22H19N3O4/c1-14-13-19(29-22(27)24(14)16-9-11-18(28-3)12-10-16)20-15(2)23-25(21(20)26)17-7-5-4-6-8-17/h4-13,23H,2H2,1,3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.69E+5n/an/an/an/an/an/a



University of Sciences and Technology Houari Boum£di£ne

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem 16: 3059-66 (2008)


Article DOI: 10.1016/j.bmc.2007.12.033
BindingDB Entry DOI: 10.7270/Q251402X
More data for this
Ligand-Target Pair