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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 = 'BDBM50133796'   
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))
BDBM50133796
PNG
(1-{(R)-2-[3-(4-Chloro-benzyl)-8-aza-bicyclo[3.2.1]...)
Show SMILES COc1cc(NC(=O)N[C@H](C)CN2C3CCC2CC(Cc2ccc(Cl)cc2)C3)cc(OC)c1OC |THB:19:18:12:14.15|
Show InChI InChI=1S/C27H36ClN3O4/c1-17(29-27(32)30-21-14-24(33-2)26(35-4)25(15-21)34-3)16-31-22-9-10-23(31)13-19(12-22)11-18-5-7-20(28)8-6-18/h5-8,14-15,17,19,22-23H,9-13,16H2,1-4H3,(H2,29,30,32)/t17-,19?,22?,23?/m1/s1
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PubMed
n/an/a 4.70n/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))
BDBM50133796
PNG
(1-{(R)-2-[3-(4-Chloro-benzyl)-8-aza-bicyclo[3.2.1]...)
Show SMILES COc1cc(NC(=O)N[C@H](C)CN2C3CCC2CC(Cc2ccc(Cl)cc2)C3)cc(OC)c1OC |THB:19:18:12:14.15|
Show InChI InChI=1S/C27H36ClN3O4/c1-17(29-27(32)30-21-14-24(33-2)26(35-4)25(15-21)34-3)16-31-22-9-10-23(31)13-19(12-22)11-18-5-7-20(28)8-6-18/h5-8,14-15,17,19,22-23H,9-13,16H2,1-4H3,(H2,29,30,32)/t17-,19?,22?,23?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 11n/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