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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 = 'BDBM50163662'   
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))
BDBM50163662
PNG
(1-(3a,7a-Dihydro-1H-indazol-6-yl)-3-{(1R,2S)-2-[(S...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4CNNc4c3)C2)cc1
Show InChI InChI=1S/C27H36FN5O/c28-23-10-7-19(8-11-23)14-20-4-3-13-33(17-20)18-22-5-1-2-6-25(22)31-27(34)30-24-12-9-21-16-29-32-26(21)15-24/h7-12,15,20,22,25,29,32H,1-6,13-14,16-18H2,(H2,30,31,34)/t20-,22-,25+/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0600n/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
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163662
PNG
(1-(3a,7a-Dihydro-1H-indazol-6-yl)-3-{(1R,2S)-2-[(S...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4CNNc4c3)C2)cc1
Show InChI InChI=1S/C27H36FN5O/c28-23-10-7-19(8-11-23)14-20-4-3-13-33(17-20)18-22-5-1-2-6-25(22)31-27(34)30-24-12-9-21-16-29-32-26(21)15-24/h7-12,15,20,22,25,29,32H,1-6,13-14,16-18H2,(H2,30,31,34)/t20-,22-,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expressed in CHO cells


J Med Chem 48: 2194-211 (2005)


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


(Homo sapiens (Human))
BDBM50163662
PNG
(1-(3a,7a-Dihydro-1H-indazol-6-yl)-3-{(1R,2S)-2-[(S...)
Show SMILES Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4CNNc4c3)C2)cc1
Show InChI InChI=1S/C27H36FN5O/c28-23-10-7-19(8-11-23)14-20-4-3-13-33(17-20)18-22-5-1-2-6-25(22)31-27(34)30-24-12-9-21-16-29-32-26(21)15-24/h7-12,15,20,22,25,29,32H,1-6,13-14,16-18H2,(H2,30,31,34)/t20-,22-,25+/m0/s1
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
More data for this
Ligand-Target Pair