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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 = 'BDBM50325718'   
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))
BDBM50325718
PNG
(2-(1-(4-chlorobenzyl)-1H-imidazol-2-yl)-N-(4-(trif...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCCC2c2nccn2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H20ClF3N4O/c23-17-7-3-15(4-8-17)14-29-13-11-27-20(29)19-2-1-12-30(19)21(31)28-18-9-5-16(6-10-18)22(24,25)26/h3-11,13,19H,1-2,12,14H2,(H,28,31)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3-induced chemotaxis after 3 hrs


Bioorg Med Chem Lett 20: 5477-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.082
BindingDB Entry DOI: 10.7270/Q2319W3D
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50325718
PNG
(2-(1-(4-chlorobenzyl)-1H-imidazol-2-yl)-N-(4-(trif...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCCC2c2nccn2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H20ClF3N4O/c23-17-7-3-15(4-8-17)14-29-13-11-27-20(29)19-2-1-12-30(19)21(31)28-18-9-5-16(6-10-18)22(24,25)26/h3-11,13,19H,1-2,12,14H2,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP1alpha from human recombinant CCR1 expressed in HEK293 cells after 4 hrs by SPA


Bioorg Med Chem Lett 20: 5477-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.082
BindingDB Entry DOI: 10.7270/Q2319W3D
More data for this
Ligand-Target Pair