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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 = 'BDBM50133793'   
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))
BDBM50133793
PNG
(1-{(S)-1-[3-(4-Chloro-benzyl)-8-aza-bicyclo[3.2.1]...)
Show SMILES COc1cc(NC(=O)N[C@@H](CN2C3CCC2CC(Cc2ccc(Cl)cc2)C3)[C@H](C)O)cc(OC)c1OC |THB:18:17:11:13.14|
Show InChI InChI=1S/C28H38ClN3O5/c1-17(33)24(31-28(34)30-21-14-25(35-2)27(37-4)26(15-21)36-3)16-32-22-9-10-23(32)13-19(12-22)11-18-5-7-20(29)8-6-18/h5-8,14-15,17,19,22-24,33H,9-13,16H2,1-4H3,(H2,30,31,34)/t17-,19?,22?,23?,24-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.40n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit C-C chemokine receptor type 3 receptor


Bioorg Med Chem Lett 13: 3597-600 (2003)


BindingDB Entry DOI: 10.7270/Q228085J
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50133793
PNG
(1-{(S)-1-[3-(4-Chloro-benzyl)-8-aza-bicyclo[3.2.1]...)
Show SMILES COc1cc(NC(=O)N[C@@H](CN2C3CCC2CC(Cc2ccc(Cl)cc2)C3)[C@H](C)O)cc(OC)c1OC |THB:18:17:11:13.14|
Show InChI InChI=1S/C28H38ClN3O5/c1-17(33)24(31-28(34)30-21-14-25(35-2)27(37-4)26(15-21)36-3)16-32-22-9-10-23(32)13-19(12-22)11-18-5-7-20(29)8-6-18/h5-8,14-15,17,19,22-24,33H,9-13,16H2,1-4H3,(H2,30,31,34)/t17-,19?,22?,23?,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.20n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity was determined towards C-C chemokine receptor type 3 using [125I]-labeled eotaxin as radioligand


Bioorg Med Chem Lett 13: 3597-600 (2003)


BindingDB Entry DOI: 10.7270/Q228085J
More data for this
Ligand-Target Pair