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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 = 'BDBM50436270'   
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))
BDBM50436270
PNG
(CHEMBL2398763)
Show SMILES CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C25H30ClFN2O4/c1-15(2)21(28-22(31)16-5-10-19(27)20(30)13-16)23(32)29-12-11-25(33,24(3,4)14-29)17-6-8-18(26)9-7-17/h5-10,13,15,21,30,33H,11-12,14H2,1-4H3,(H,28,31)/t21-,25+/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human CCR1


Bioorg Med Chem Lett 23: 3833-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.079
BindingDB Entry DOI: 10.7270/Q24X596G
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50436270
PNG
(CHEMBL2398763)
Show SMILES CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C25H30ClFN2O4/c1-15(2)21(28-22(31)16-5-10-19(27)20(30)13-16)23(32)29-12-11-25(33,24(3,4)14-29)17-6-8-18(26)9-7-17/h5-10,13,15,21,30,33H,11-12,14H2,1-4H3,(H,28,31)/t21-,25+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis


Bioorg Med Chem Lett 23: 3833-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.079
BindingDB Entry DOI: 10.7270/Q24X596G
More data for this
Ligand-Target Pair