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BDBM223261 2-(5-((Cyclopropylmethyl)(1,2-dihydroacenaphthylen-5-yl)amino)-3-methoxypicolinoyl)cyclopropanecarboxylic acid::US20160326143, 36::US9657001, 36

SMILES: COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc2CCc3cccc1c23

InChI Key: InChIKey=FQHWQFIPEVBFKT-UHFFFAOYNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 223261   
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
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223261
PNG
(2-(5-((Cyclopropylmethyl)(1,2-dihydroacenaphthylen...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc2CCc3cccc1c23
Show InChI InChI=1/C27H26N2O4/c1-33-23-11-18(13-28-25(23)26(30)20-12-21(20)27(31)32)29(14-15-5-6-15)22-10-9-17-8-7-16-3-2-4-19(22)24(16)17/h2-4,9-11,13,15,20-21H,5-8,12,14H2,1H3,(H,31,32)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223261
PNG
(2-(5-((Cyclopropylmethyl)(1,2-dihydroacenaphthylen...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc2CCc3cccc1c23
Show InChI InChI=1/C27H26N2O4/c1-33-23-11-18(13-28-25(23)26(30)20-12-21(20)27(31)32)29(14-15-5-6-15)22-10-9-17-8-7-16-3-2-4-19(22)24(16)17/h2-4,9-11,13,15,20-21H,5-8,12,14H2,1H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/a7.8n/a



Astrazeneca Ab

US Patent


Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...


US Patent US20160326143 (2016)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair