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BDBM50047306 12-Hydroxy-2,2-dimethyl-heptadec-16-ynoic acid::CHEMBL33447

SMILES: CC(C)(CCCCCCCCCC(O)CCCC#C)C(O)=O

InChI Key: InChIKey=NKCUSUZBSTZOHV-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50047306   
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
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

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PC sid
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Similars
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)


BindingDB Entry DOI: 10.7270/Q2Q52NQW
More data for this
Ligand-Target Pair