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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 3' and Ligand = 'BDBM50041090'   
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))
BDBM50041090
PNG
(CHEMBL3355964)
Show SMILES CCNC(=O)N[C@@H](CCN1CCC(CC1)c1c(CC)[nH]c2cc(F)ccc12)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C28H35Cl2FN4O/c1-3-25-27(22-7-6-20(31)17-26(22)34-25)19-9-12-35(13-10-19)14-11-21(33-28(36)32-4-2)15-18-5-8-23(29)24(30)16-18/h5-8,16-17,19,21,34H,3-4,9-15H2,1-2H3,(H2,32,33,36)/t21-/s2
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UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
11n/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


(Mus musculus)
BDBM50041090
PNG
(CHEMBL3355964)
Show SMILES CCNC(=O)N[C@@H](CCN1CCC(CC1)c1c(CC)[nH]c2cc(F)ccc12)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C28H35Cl2FN4O/c1-3-25-27(22-7-6-20(31)17-26(22)34-25)19-9-12-35(13-10-19)14-11-21(33-28(36)32-4-2)15-18-5-8-23(29)24(30)16-18/h5-8,16-17,19,21,34H,3-4,9-15H2,1-2H3,(H2,32,33,36)/t21-/s2
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
64n/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 mouse 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
C-C chemokine receptor type 3


(Rattus norvegicus)
BDBM50041090
PNG
(CHEMBL3355964)
Show SMILES CCNC(=O)N[C@@H](CCN1CCC(CC1)c1c(CC)[nH]c2cc(F)ccc12)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C28H35Cl2FN4O/c1-3-25-27(22-7-6-20(31)17-26(22)34-25)19-9-12-35(13-10-19)14-11-21(33-28(36)32-4-2)15-18-5-8-23(29)24(30)16-18/h5-8,16-17,19,21,34H,3-4,9-15H2,1-2H3,(H2,32,33,36)/t21-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
320n/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