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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 3' and Ligand = 'BDBM50163660'   
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
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163660
PNG
(1-(4-Chloro-benzothiazol-2-yl)-3-{(1R,2S)-2-[(S)-3...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3nc4c(Cl)cccc4s3)C2)cc1
Show InChI InChI=1S/C27H32ClFN4OS/c28-22-7-3-9-24-25(22)31-27(35-24)32-26(34)30-23-8-2-1-6-20(23)17-33-14-4-5-19(16-33)15-18-10-12-21(29)13-11-18/h3,7,9-13,19-20,23H,1-2,4-6,8,14-17H2,(H2,30,31,32,34)/t19-,20-,23+/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0900n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163660
PNG
(1-(4-Chloro-benzothiazol-2-yl)-3-{(1R,2S)-2-[(S)-3...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3nc4c(Cl)cccc4s3)C2)cc1
Show InChI InChI=1S/C27H32ClFN4OS/c28-22-7-3-9-24-25(22)31-27(35-24)32-26(34)30-23-8-2-1-6-20(23)17-33-14-4-5-19(16-33)15-18-10-12-21(29)13-11-18/h3,7,9-13,19-20,23H,1-2,4-6,8,14-17H2,(H2,30,31,32,34)/t19-,20-,23+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair