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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50436304'   
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))
BDBM50436304
PNG
(CHEMBL2398745)
Show SMILES CC(C)[C@@H](NC(=O)C1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C22H31ClN2O3/c1-14(2)18(24-19(26)15-5-6-15)20(27)25-12-11-22(28,21(3,4)13-25)16-7-9-17(23)10-8-16/h7-10,14-15,18,28H,5-6,11-13H2,1-4H3,(H,24,26)/t18-,22+/m1/s1
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Article
PubMed
n/an/a 3n/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