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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 = 'BDBM50325722'   
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))
BDBM50325722
PNG
((R)-2-(4-(4-chlorobenzyl)-4H-1,2,4-triazol-3-yl)-N...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC[C@@H]2c2nncn2Cc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C21H19ClF3N5O/c22-16-7-3-14(4-8-16)12-29-13-26-28-19(29)18-2-1-11-30(18)20(31)27-17-9-5-15(6-10-17)21(23,24)25/h3-10,13,18H,1-2,11-12H2,(H,27,31)/t18-/m1/s1
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PubMed
n/an/a 4n/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))
BDBM50325722
PNG
((R)-2-(4-(4-chlorobenzyl)-4H-1,2,4-triazol-3-yl)-N...)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCC[C@@H]2c2nncn2Cc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C21H19ClF3N5O/c22-16-7-3-14(4-8-16)12-29-13-26-28-19(29)18-2-1-11-30(18)20(31)27-17-9-5-15(6-10-17)21(23,24)25/h3-10,13,18H,1-2,11-12H2,(H,27,31)/t18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 17n/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