BDBM50436259 CHEMBL2398716::US8633226, 1356

SMILES CC(C)[C@@H](NC(=O)CC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1

InChI Key InChIKey=PTNKPLPRPJERNR-XXBNENTESA-N

Data  1 KI  2 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50436259   

TargetC-C chemokine receptor type 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM50436259(CHEMBL2398716 | US8633226, 1356)
Affinity DataKi:  3.70nM ΔG°:  -11.5kcal/moleT: 2°CAssay Description:For radioligand competition studies, a final concentration of 1x105 THP-1 monocytic leukemia cells are combined with 100 μg of LS WGA PS beads (...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetC-C chemokine receptor type 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM50436259(CHEMBL2398716 | US8633226, 1356)
Affinity DataIC50:  5.20nMAssay Description:Binding affinity to human CCR1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50436259(CHEMBL2398716 | US8633226, 1356)
Affinity DataEC50:  1.80E+3nMAssay Description:Induction of PXR (unknown origin)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM50436259(CHEMBL2398716 | US8633226, 1356)
Affinity DataIC50:  3nMAssay Description:Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50436259(CHEMBL2398716 | US8633226, 1356)
Affinity DataEC50:  2.30E+3nMAssay Description:Transactivation of human full-length PXR transfected in human HepG2 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair