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BDBM50064086 CHEMBL283754::Cinalukast::N-{3-[(E)-2-(4-Cyclobutyl-thiazol-2-yl)-vinyl]-phenyl}-2,2-diethyl-succinamic acid::N-{3-[2-(4-Cyclobutyl-thiazol-2-yl)-vinyl]-phenyl}-2,2-diethyl-succinamic acid(Ro 24-5913)::Ro-24-5913

SMILES: CCC(CC)(CC(=O)Nc1cccc(\C=C\c2nc(cs2)C2CCC2)c1)C(O)=O

InChI Key: InChIKey=BZMKNPGKXJAIDV-VAWYXSNFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50064086   
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
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50064086
PNG
(CHEMBL283754 | Cinalukast | N-{3-[(E)-2-(4-Cyclobu...)
Show SMILES CCC(CC)(CC(=O)Nc1cccc(\C=C\c2nc(cs2)C2CCC2)c1)C(O)=O
Show InChI InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+
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PC cid
PC sid
UniChem
Article
PubMed
 6.40n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand

J Med Chem 41: 1439-45 (1998)


Article DOI: 10.1021/jm970180w
BindingDB Entry DOI: 10.7270/Q2WH2P4P
More data for this
Ligand-Target Pair