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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 1' and Ligand = 'BDBM50374836'   
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 1


(Homo sapiens (Human))
BDBM50374836
PNG
(CHEMBL269956)
Show SMILES Cc1cccc(Cl)c1S(=O)(=O)N1CCC(CC1)N1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H28Cl2N2O3S/c1-17-3-2-4-21(25)22(17)31(29,30)27-13-9-20(10-14-27)26-15-11-23(28,12-16-26)18-5-7-19(24)8-6-18/h2-8,20,28H,9-16H2,1H3
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR1 receptor expressed in THP1 cells


Bioorg Med Chem Lett 18: 2215-21 (2008)


Article DOI: 10.1016/j.bmcl.2007.09.068
BindingDB Entry DOI: 10.7270/Q21C1XQP
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50374836
PNG
(CHEMBL269956)
Show SMILES Cc1cccc(Cl)c1S(=O)(=O)N1CCC(CC1)N1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H28Cl2N2O3S/c1-17-3-2-4-21(25)22(17)31(29,30)27-13-9-20(10-14-27)26-15-11-23(28,12-16-26)18-5-7-19(24)8-6-18/h2-8,20,28H,9-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Tanabe Research Laboratories USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 receptor expressed in THP1 cells assessed as human MIP-1-alpha-stimulated intracellular calcium level by FLIPR assa...


Bioorg Med Chem Lett 18: 2215-21 (2008)


Article DOI: 10.1016/j.bmcl.2007.09.068
BindingDB Entry DOI: 10.7270/Q21C1XQP
More data for this
Ligand-Target Pair