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BDBM50372862 CHEMBL255398

SMILES: C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O

InChI Key: InChIKey=YMMAHNYFXNAREN-GCJKJVERSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50372862   
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))
BDBM50372862
PNG
(CHEMBL255398)
Show SMILES C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O
Show InChI InChI=1S/C27H34FN3O3/c1-18(29-27(34)30-26-15-23(19(2)32)14-24(16-26)20(3)33)10-12-31-11-4-5-22(17-31)13-21-6-8-25(28)9-7-21/h6-9,14-16,18,22H,4-5,10-13,17H2,1-3H3,(H2,29,30,34)/t18-,22+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/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))
BDBM50372862
PNG
(CHEMBL255398)
Show SMILES C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O
Show InChI InChI=1S/C27H34FN3O3/c1-18(29-27(34)30-26-15-23(19(2)32)14-24(16-26)20(3)33)10-12-31-11-4-5-22(17-31)13-21-6-8-25(28)9-7-21/h6-9,14-16,18,22H,4-5,10-13,17H2,1-3H3,(H2,29,30,34)/t18-,22+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+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))
BDBM50372862
PNG
(CHEMBL255398)
Show SMILES C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O
Show InChI InChI=1S/C27H34FN3O3/c1-18(29-27(34)30-26-15-23(19(2)32)14-24(16-26)20(3)33)10-12-31-11-4-5-22(17-31)13-21-6-8-25(28)9-7-21/h6-9,14-16,18,22H,4-5,10-13,17H2,1-3H3,(H2,29,30,34)/t18-,22+/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