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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 = 'BDBM50293049'   
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))
BDBM50293049
PNG
((R)-N2-(4-Chlorobenzyl)-N1-(4-methoxyphenyl)-N2-me...)
Show SMILES COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C21H24ClN3O3/c1-24(14-15-5-7-16(22)8-6-15)20(26)19-4-3-13-25(19)21(27)23-17-9-11-18(28-2)12-10-17/h5-12,19H,3-4,13-14H2,1-2H3,(H,23,27)/t19-/m1/s1
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells


J Med Chem 52: 1295-301 (2010)


Article DOI: 10.1021/jm801416q
BindingDB Entry DOI: 10.7270/Q25X28Z3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50293049
PNG
((R)-N2-(4-Chlorobenzyl)-N1-(4-methoxyphenyl)-N2-me...)
Show SMILES COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C21H24ClN3O3/c1-24(14-15-5-7-16(22)8-6-15)20(26)19-4-3-13-25(19)21(27)23-17-9-11-18(28-2)12-10-17/h5-12,19H,3-4,13-14H2,1-2H3,(H,23,27)/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 in THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 3 hrs


J Med Chem 52: 1295-301 (2010)


Article DOI: 10.1021/jm801416q
BindingDB Entry DOI: 10.7270/Q25X28Z3
More data for this
Ligand-Target Pair