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BDBM50045673 1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol-5-yl)-propyl]-4-methyl-6-[2-(5-phenyl-pyridin-2-yl)-ethyl]-4,5-dihydro-1H-3-thia-1-aza-acenaphthylene::CHEMBL81812

SMILES: CC1Cc2c(CCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23

InChI Key: InChIKey=HBQPFEZZFCYPNX-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50045673   
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
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50045673
PNG
(1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...)
Show SMILES CC1Cc2c(CCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
Show InChI InChI=1S/C37H37ClN6S/c1-24-19-31-27(11-16-30-17-12-28(22-39-30)26-7-5-4-6-8-26)13-18-32-35(31)36(45-24)33(20-37(2,3)21-34-40-42-43-41-34)44(32)23-25-9-14-29(38)15-10-25/h4-10,12-15,17-18,22,24H,11,16,19-21,23H2,1-3H3,(H,40,41,42,43)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of LTB4 biosynthesis in [Ca2+]-ionophore-activated human polymorphonuclear leukocytes


J Med Chem 36: 2771-87 (1993)


Article DOI: 10.1021/jm00071a008
BindingDB Entry DOI: 10.7270/Q28914XB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50045673
PNG
(1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...)
Show SMILES CC1Cc2c(CCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
Show InChI InChI=1S/C37H37ClN6S/c1-24-19-31-27(11-16-30-17-12-28(22-39-30)26-7-5-4-6-8-26)13-18-32-35(31)36(45-24)33(20-37(2,3)21-34-40-42-43-41-34)44(32)23-25-9-14-29(38)15-10-25/h4-10,12-15,17-18,22,24H,11,16,19-21,23H2,1-3H3,(H,40,41,42,43)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN leukocytes


J Med Chem 36: 2771-87 (1993)


Article DOI: 10.1021/jm00071a008
BindingDB Entry DOI: 10.7270/Q28914XB
More data for this
Ligand-Target Pair