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BDBM85030 Cetirizine (-) isomer

SMILES: OC(=O)COCCN1CCN(CC1)[C@H](c1ccccc1)c1ccc(Cl)cc1

InChI Key: InChIKey=ZKLPARSLTMPFCP-OAQYLSRUSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 85030   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H1 receptor


(Homo sapiens (Human))
BDBM85030
PNG
(Cetirizine (-) isomer)
Show SMILES OC(=O)COCCN1CCN(CC1)[C@H](c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1
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Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Universite Libre de Bruxelles

Curated by PDSP Ki Database




J Recept Signal Transduct Res 15: 91-102 (1995)


Article DOI: 10.3109/10799899509045210
BindingDB Entry DOI: 10.7270/Q2PZ57BR
More data for this
Ligand-Target Pair