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BDBM50372829 CHEMBL428071

SMILES: C[C@H](CC(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(c1)-c1nnnn1C

InChI Key: InChIKey=UQBFRDAXMOLPES-MJGOQNOKSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50372829   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50372829
PNG
(CHEMBL428071)
Show SMILES C[C@H](CC(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H30FN7O2/c1-17(27-25(35)28-22-7-3-6-20(15-22)24-29-30-31-32(24)2)13-23(34)33-12-4-5-19(16-33)14-18-8-10-21(26)11-9-18/h3,6-11,15,17,19H,4-5,12-14,16H2,1-2H3,(H2,27,28,35)/t17-,19+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]eotaxin from human CCR3 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50372829
PNG
(CHEMBL428071)
Show SMILES C[C@H](CC(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H30FN7O2/c1-17(27-25(35)28-22-7-3-6-20(15-22)24-29-30-31-32(24)2)13-23(34)33-12-4-5-19(16-33)14-18-8-10-21(26)11-9-18/h3,6-11,15,17,19H,4-5,12-14,16H2,1-2H3,(H2,27,28,35)/t17-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50372829
PNG
(CHEMBL428071)
Show SMILES C[C@H](CC(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H30FN7O2/c1-17(27-25(35)28-22-7-3-6-20(15-22)24-29-30-31-32(24)2)13-23(34)33-12-4-5-19(16-33)14-18-8-10-21(26)11-9-18/h3,6-11,15,17,19H,4-5,12-14,16H2,1-2H3,(H2,27,28,35)/t17-,19+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis


Bioorg Med Chem Lett 18: 576-85 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.067
More data for this
Ligand-Target Pair