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BDBM223231 2-(5-((2,3-Dihydro-1H-inden-5-yl)((1-methylcyclopropyl)methyl)amino)-3-methoxypicolinoyl)cyclopropanecarboxylic acid::US20160326143, 6

SMILES: COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1(C)CC1)c1ccc2CCCc2c1

InChI Key: InChIKey=UZIRXZUCOKESJN-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 223231   
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))
BDBM223231
PNG
(2-(5-((2,3-Dihydro-1H-inden-5-yl)((1-methylcyclopr...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1(C)CC1)c1ccc2CCCc2c1
Show InChI InChI=1S/C25H28N2O4/c1-25(8-9-25)14-27(17-7-6-15-4-3-5-16(15)10-17)18-11-21(31-2)22(26-13-18)23(28)19-12-20(19)24(29)30/h6-7,10-11,13,19-20H,3-5,8-9,12,14H2,1-2H3,(H,29,30)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 47n/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