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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 = 'BDBM50374823'   
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))
BDBM50374823
PNG
(CHEMBL255338)
Show SMILES OC1(CCN(CCCNS(=O)(=O)c2ccccc2-c2ccsc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClN2O3S2/c25-21-8-6-20(7-9-21)24(28)11-15-27(16-12-24)14-3-13-26-32(29,30)23-5-2-1-4-22(23)19-10-17-31-18-19/h1-2,4-10,17-18,26,28H,3,11-16H2
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/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))
BDBM50374823
PNG
(CHEMBL255338)
Show SMILES OC1(CCN(CCCNS(=O)(=O)c2ccccc2-c2ccsc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClN2O3S2/c25-21-8-6-20(7-9-21)24(28)11-15-27(16-12-24)14-3-13-26-32(29,30)23-5-2-1-4-22(23)19-10-17-31-18-19/h1-2,4-10,17-18,26,28H,3,11-16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/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