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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 = 'BDBM50056501'   
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))
BDBM50056501
PNG
(CHEMBL3334821)
Show SMILES C[C@H](O)CNC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C22H34ClN3O4/c1-14(2)18(25-20(29)24-12-15(3)27)19(28)26-11-10-22(30,21(4,5)13-26)16-6-8-17(23)9-7-16/h6-9,14-15,18,27,30H,10-13H2,1-5H3,(H2,24,25,29)/t15-,18+,22-/m0/s1
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PC sid
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells


J Med Chem 57: 7550-64 (2014)


Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50056501
PNG
(CHEMBL3334821)
Show SMILES C[C@H](O)CNC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C22H34ClN3O4/c1-14(2)18(25-20(29)24-12-15(3)27)19(28)26-11-10-22(30,21(4,5)13-26)16-6-8-17(23)9-7-16/h6-9,14-15,18,27,30H,10-13H2,1-5H3,(H2,24,25,29)/t15-,18+,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Bristol Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha induced chemotaxis after 60 mins


J Med Chem 57: 7550-64 (2014)


Article DOI: 10.1021/jm5003167
BindingDB Entry DOI: 10.7270/Q2TB18JC
More data for this
Ligand-Target Pair