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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 = 'BDBM50374821'   
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))
BDBM50374821
PNG
(CHEMBL270564)
Show SMILES OC1(CCN(CCCNS(=O)(=O)c2ccsc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClN2O3S2/c19-16-4-2-15(3-5-16)18(22)7-11-21(12-8-18)10-1-9-20-26(23,24)17-6-13-25-14-17/h2-6,13-14,20,22H,1,7-12H2
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 385n/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
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50374821
PNG
(CHEMBL270564)
Show SMILES OC1(CCN(CCCNS(=O)(=O)c2ccsc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClN2O3S2/c19-16-4-2-15(3-5-16)18(22)7-11-21(12-8-18)10-1-9-20-26(23,24)17-6-13-25-14-17/h2-6,13-14,20,22H,1,7-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/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