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PubMed code 1372359

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
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50002435
PNG
(3-Isopropoxy-5-methoxy-benzo[b]thiophene-2-carboxy...)
Show SMILES COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1
Show InChI InChI=1S/C14H15N5O3S/c1-7(2)22-11-9-6-8(21-3)4-5-10(9)23-12(11)13(20)15-14-16-18-19-17-14/h4-7H,1-3H3,(H2,15,16,17,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of serum-opsonized zymosan stimulated LTC4/D4 release from human neutrophil


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50002435
PNG
(3-Isopropoxy-5-methoxy-benzo[b]thiophene-2-carboxy...)
Show SMILES COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1
Show InChI InChI=1S/C14H15N5O3S/c1-7(2)22-11-9-6-8(21-3)4-5-10(9)23-12(11)13(20)15-14-16-18-19-17-14/h4-7H,1-3H3,(H2,15,16,17,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of serum-opsonized zymosan stimulated LTC4/D4 release from human neutrophil


Citation and Details
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50002435
PNG
(3-Isopropoxy-5-methoxy-benzo[b]thiophene-2-carboxy...)
Show SMILES COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1
Show InChI InChI=1S/C14H15N5O3S/c1-7(2)22-11-9-6-8(21-3)4-5-10(9)23-12(11)13(20)15-14-16-18-19-17-14/h4-7H,1-3H3,(H2,15,16,17,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of serum-opsonized zymosan stimulated myeloperoxidase release from human neutrophil


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%