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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 = 'BDBM50041199'   
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))
BDBM50041199
PNG
(CHEMBL3355961)
Show SMILES CCOC(=O)c1cccc(n1)-n1c(CC)c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C32H35F2N3O2S/c1-3-28-31(22-15-18-36(19-16-22)17-6-20-40-25-12-9-23(33)10-13-25)26-14-11-24(34)21-29(26)37(28)30-8-5-7-27(35-30)32(38)39-4-2/h5,7-14,21-22H,3-4,6,15-20H2,1-2H3
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
60n/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)
BDBM50041199
PNG
(CHEMBL3355961)
Show SMILES CCOC(=O)c1cccc(n1)-n1c(CC)c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C32H35F2N3O2S/c1-3-28-31(22-15-18-36(19-16-22)17-6-20-40-25-12-9-23(33)10-13-25)26-14-11-24(34)21-29(26)37(28)30-8-5-7-27(35-30)32(38)39-4-2/h5,7-14,21-22H,3-4,6,15-20H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.40E+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