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PubMed code 11678654

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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50250921
PNG
(CHEMBL518103 | isaindigotone)
Show SMILES COc1cc(\C=C2/CCn3c2nc2ccccc2c3=O)cc(OC)c1O
Show InChI InChI=1S/C20H18N2O4/c1-25-16-10-12(11-17(26-2)18(16)23)9-13-7-8-22-19(13)21-15-6-4-3-5-14(15)20(22)24/h3-6,9-11,23H,7-8H2,1-2H3/b13-9+
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PubMed
n/an/a 40n/an/an/an/an/an/a



Universidad de Murcia

Curated by ChEMBL


Assay Description
Inhibition of 5LO-mediated LTB4 production in human neutrophils by RIA

J Nat Prod 64: 1297-300 (2001)


BindingDB Entry DOI: 10.7270/Q2GT5MXP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50250946
PNG
(3-(4'-Acetoxy-3',5'-dimethoxy)benzylidene-1,2-dihy...)
Show SMILES COc1cc(\C=C2/CCn3c2nc2ccccc2c3=O)cc(OC)c1OC(C)=O
Show InChI InChI=1S/C22H20N2O5/c1-13(25)29-20-18(27-2)11-14(12-19(20)28-3)10-15-8-9-24-21(15)23-17-7-5-4-6-16(17)22(24)26/h4-7,10-12H,8-9H2,1-3H3/b15-10+
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n/an/a 60n/an/an/an/an/an/a



Universidad de Murcia

Curated by ChEMBL


Assay Description
Inhibition of 5LO-mediated LTB4 production in human neutrophils by RIA

J Nat Prod 64: 1297-300 (2001)


BindingDB Entry DOI: 10.7270/Q2GT5MXP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50250926
PNG
(1-ethyl-6-((3-fluoro-5-(4-methoxytetrahydro-2H-pyr...)
Show SMILES CCn1c2ccc(COc3cc(F)cc(c3)C3(CCOCC3)OC)cc2ccc1=O
Show InChI InChI=1S/C24H26FNO4/c1-3-26-22-6-4-17(12-18(22)5-7-23(26)27)16-30-21-14-19(13-20(25)15-21)24(28-2)8-10-29-11-9-24/h4-7,12-15H,3,8-11,16H2,1-2H3
PDB
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PubMed
n/an/a 90n/an/an/an/an/an/a



Universidad de Murcia

Curated by ChEMBL


Assay Description
Inhibition of 5LO-mediated LTB4 production in human neutrophils by RIA

J Nat Prod 64: 1297-300 (2001)


BindingDB Entry DOI: 10.7270/Q2GT5MXP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%