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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 = 'BDBM50163644'   
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))
BDBM50163644
PNG
(1-(3-Cyano-4-pyrazol-1-yl-cyclohexa-2,4-dienyl)-3-...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)NC3CC=C(C(=C3)C#N)n3cccn3)C2)cc1 |c:25,27|
Show InChI InChI=1S/C30H37FN6O/c31-26-10-8-22(9-11-26)17-23-5-3-15-36(20-23)21-24-6-1-2-7-28(24)35-30(38)34-27-12-13-29(25(18-27)19-32)37-16-4-14-33-37/h4,8-11,13-14,16,18,23-24,27-28H,1-3,5-7,12,15,17,20-21H2,(H2,34,35,38)/t23-,24-,27?,28+/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/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))
BDBM50163644
PNG
(1-(3-Cyano-4-pyrazol-1-yl-cyclohexa-2,4-dienyl)-3-...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)NC3CC=C(C(=C3)C#N)n3cccn3)C2)cc1 |c:25,27|
Show InChI InChI=1S/C30H37FN6O/c31-26-10-8-22(9-11-26)17-23-5-3-15-36(20-23)21-24-6-1-2-7-28(24)35-30(38)34-27-12-13-29(25(18-27)19-32)37-16-4-14-33-37/h4,8-11,13-14,16,18,23-24,27-28H,1-3,5-7,12,15,17,20-21H2,(H2,34,35,38)/t23-,24-,27?,28+/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 calcium mobilization in 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