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BDBM50029562 CHEMBL140915::{2-[1-(3-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridin-2-ylmethoxy)-4,5-dihydro-1H-thiopyrano[2,3,4-cd]indol-2-ylmethoxy]-phenyl}-acetic acid

SMILES: CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4cccc(Cl)c4)c(COc4ccccc4CC(O)=O)c(S1)c23

InChI Key: InChIKey=OQQODMMUYMQRLN-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50029562   
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))
BDBM50029562
PNG
(CHEMBL140915 | {2-[1-(3-Chloro-benzyl)-4-methyl-6-...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4cccc(Cl)c4)c(COc4ccccc4CC(O)=O)c(S1)c23
Show InChI InChI=1S/C39H33ClN2O4S/c1-25-18-32-36(45-23-31-15-14-29(21-41-31)27-9-3-2-4-10-27)17-16-33-38(32)39(47-25)34(42(33)22-26-8-7-12-30(40)19-26)24-46-35-13-6-5-11-28(35)20-37(43)44/h2-17,19,21,25H,18,20,22-24H2,1H3,(H,43,44)
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Human 5-lipoxygenase


J Med Chem 38: 4538-47 (1995)


Article DOI: 10.1021/jm00022a020
BindingDB Entry DOI: 10.7270/Q2C53JW5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50029562
PNG
(CHEMBL140915 | {2-[1-(3-Chloro-benzyl)-4-methyl-6-...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4cccc(Cl)c4)c(COc4ccccc4CC(O)=O)c(S1)c23
Show InChI InChI=1S/C39H33ClN2O4S/c1-25-18-32-36(45-23-31-15-14-29(21-41-31)27-9-3-2-4-10-27)17-16-33-38(32)39(47-25)34(42(33)22-26-8-7-12-30(40)19-26)24-46-35-13-6-5-11-28(35)20-37(43)44/h2-17,19,21,25H,18,20,22-24H2,1H3,(H,43,44)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Human 5-lipoxygenase


J Med Chem 38: 4538-47 (1995)


Article DOI: 10.1021/jm00022a020
BindingDB Entry DOI: 10.7270/Q2C53JW5
More data for this
Ligand-Target Pair