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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 = 'BDBM50041091'   
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))
BDBM50041091
PNG
(CHEMBL3355965)
Show SMILES CCNC(=O)N[C@@H](CCN1CCC(CC1)c1c(CC)n(-c2ccc(cn2)C(O)=O)c2cc(F)ccc12)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C34H38Cl2FN5O3/c1-3-29-32(26-8-7-24(37)19-30(26)42(29)31-10-6-23(20-39-31)33(43)44)22-11-14-41(15-12-22)16-13-25(40-34(45)38-4-2)17-21-5-9-27(35)28(36)18-21/h5-10,18-20,22,25H,3-4,11-17H2,1-2H3,(H,43,44)(H2,38,40,45)/t25-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells


Bioorg Med Chem Lett 25: 229-35 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Rattus norvegicus)
BDBM50041091
PNG
(CHEMBL3355965)
Show SMILES CCNC(=O)N[C@@H](CCN1CCC(CC1)c1c(CC)n(-c2ccc(cn2)C(O)=O)c2cc(F)ccc12)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C34H38Cl2FN5O3/c1-3-29-32(26-8-7-24(37)19-30(26)42(29)31-10-6-23(20-39-31)33(43)44)22-11-14-41(15-12-22)16-13-25(40-34(45)38-4-2)17-21-5-9-27(35)28(36)18-21/h5-10,18-20,22,25H,3-4,11-17H2,1-2H3,(H,43,44)(H2,38,40,45)/t25-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.50E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125J]-eotaxin-1 from rat CCR3 transfected in CHO cells


Bioorg Med Chem Lett 25: 229-35 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ
More data for this
Ligand-Target Pair