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BDBM50372837 CHEMBL429846

SMILES: C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-c1ccon1)-c1ccon1

InChI Key: InChIKey=KZYSQAFJXXLUSQ-MRFDPFKHSA-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 = 50372837   
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))
BDBM50372837
PNG
(CHEMBL429846)
Show SMILES C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-c1ccon1)-c1ccon1
Show InChI InChI=1S/C29H32FN5O4/c1-19(13-28(36)35-10-2-3-21(18-35)14-20-4-6-24(30)7-5-20)31-29(37)32-25-16-22(26-8-11-38-33-26)15-23(17-25)27-9-12-39-34-27/h4-9,11-12,15-17,19,21,28,36H,2-3,10,13-14,18H2,1H3,(H2,31,32,37)/t19-,21+,28-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50372837
PNG
(CHEMBL429846)
Show SMILES C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-c1ccon1)-c1ccon1
Show InChI InChI=1S/C29H32FN5O4/c1-19(13-28(36)35-10-2-3-21(18-35)14-20-4-6-24(30)7-5-20)31-29(37)32-25-16-22(26-8-11-38-33-26)15-23(17-25)27-9-12-39-34-27/h4-9,11-12,15-17,19,21,28,36H,2-3,10,13-14,18H2,1H3,(H2,31,32,37)/t19-,21+,28-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+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))
BDBM50372837
PNG
(CHEMBL429846)
Show SMILES C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-c1ccon1)-c1ccon1
Show InChI InChI=1S/C29H32FN5O4/c1-19(13-28(36)35-10-2-3-21(18-35)14-20-4-6-24(30)7-5-20)31-29(37)32-25-16-22(26-8-11-38-33-26)15-23(17-25)27-9-12-39-34-27/h4-9,11-12,15-17,19,21,28,36H,2-3,10,13-14,18H2,1H3,(H2,31,32,37)/t19-,21+,28-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/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