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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 = 'BDBM50374838'   
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))
BDBM50374838
PNG
(CHEMBL256887)
Show SMILES OC1(CCN(CC1)C1CCN(CC1)S(=O)(=O)c1c(F)cc(F)cc1Br)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24BrClF2N2O3S/c23-19-13-17(25)14-20(26)21(19)32(30,31)28-9-5-18(6-10-28)27-11-7-22(29,8-12-27)15-1-3-16(24)4-2-15/h1-4,13-14,18,29H,5-12H2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 330n/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))
BDBM50374838
PNG
(CHEMBL256887)
Show SMILES OC1(CCN(CC1)C1CCN(CC1)S(=O)(=O)c1c(F)cc(F)cc1Br)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24BrClF2N2O3S/c23-19-13-17(25)14-20(26)21(19)32(30,31)28-9-5-18(6-10-28)27-11-7-22(29,8-12-27)15-1-3-16(24)4-2-15/h1-4,13-14,18,29H,5-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.12E+3n/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