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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 8' and Ligand = 'BDBM50203868'   
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 8


(Homo sapiens (Human))
BDBM50203868
PNG
(CHEMBL412116 | N-[4-(4-methoxy-phenylsulfamoyl)-na...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H20N2O4S/c1-30-19-13-11-18(12-14-19)26-31(28,29)23-16-15-22(20-9-5-6-10-21(20)23)25-24(27)17-7-3-2-4-8-17/h2-16,26H,1H3,(H,25,27)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
42.6n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50203868
PNG
(CHEMBL412116 | N-[4-(4-methoxy-phenylsulfamoyl)-na...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H20N2O4S/c1-30-19-13-11-18(12-14-19)26-31(28,29)23-16-15-22(20-9-5-6-10-21(20)23)25-24(27)17-7-3-2-4-8-17/h2-16,26H,1H3,(H,25,27)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FL...


J Med Chem 50: 566-84 (2007)


Article DOI: 10.1021/jm061118e
BindingDB Entry DOI: 10.7270/Q24J0DSN
More data for this
Ligand-Target Pair