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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 4A4' AND taxid = 9986   
Target
(Institution)
LigandTarget
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
Cytochrome P450 4A4


(Oryctolagus cuniculus)
BDBM50047304
PNG
(12-Hydroxy-heptadec-16-ynoic acid | CHEMBL33390)
Show SMILES O[C@@H](CCCCCCCCCCC(O)=O)CCCC#C
Show InChI InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h1,16,18H,3-15H2,(H,19,20)/t16-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inactivation of prostaglandin E1 omega-hydroxylase (Cytochrome P450 4A4) in rabbit lung


J Med Chem 36: 1418-24 (1993)

More data for this
Ligand-Target Pair
Cytochrome P450 4A4


(Oryctolagus cuniculus)
BDBM50047307
PNG
(12-Hydroxy-heptadec-16-ynoic acid | CHEMBL33875)
Show SMILES O[C@H](CCCCCCCCCCC(O)=O)CCCC#C
Show InChI InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h1,16,18H,3-15H2,(H,19,20)/t16-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
3.60E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inactivation of prostaglandin E1 omega-hydroxylase (Cytochrome P450 4A4) in rabbit lung


J Med Chem 36: 1418-24 (1993)

More data for this
Ligand-Target Pair
Cytochrome P450 4A4


(Oryctolagus cuniculus)
BDBM50047305
PNG
(12-Hydroxy-heptadec-16-ynoic acid | CHEMBL29370)
Show SMILES OC(CCCCCCCCCCC(O)=O)CCCC#C
Show InChI InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h1,16,18H,3-15H2,(H,19,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
4.80E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inactivation of prostaglandin E1 omega-hydroxylase (Cytochrome P450 4A4) in rabbit lung


J Med Chem 36: 1418-24 (1993)

More data for this
Ligand-Target Pair
Cytochrome P450 4A4


(Oryctolagus cuniculus)
BDBM50047306
PNG
(12-Hydroxy-2,2-dimethyl-heptadec-16-ynoic acid | C...)
Show SMILES CC(C)(CCCCCCCCCC(O)CCCC#C)C(O)=O
Show InChI InChI=1S/C19H34O3/c1-4-5-11-14-17(20)15-12-9-7-6-8-10-13-16-19(2,3)18(21)22/h1,17,20H,5-16H2,2-3H3,(H,21,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
4.90E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inactivation of prostaglandin E1 omega-hydroxylase (Cytochrome P450 4A4) in rabbit lung


J Med Chem 36: 1418-24 (1993)

More data for this
Ligand-Target Pair