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BDBM50372854 CHEMBL257293

SMILES: C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-c1nnnn1C)C(C)C

InChI Key: InChIKey=VCIAJXLBWJRPBT-BNIKKZEQSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50372854   
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))
BDBM50372854
PNG
(CHEMBL257293)
Show SMILES C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-c1nnnn1C)C(C)C
Show InChI InChI=1S/C28H38FN7O2/c1-18(2)22-14-23(27-32-33-34-35(27)4)16-25(15-22)31-28(38)30-19(3)12-26(37)36-11-5-6-21(17-36)13-20-7-9-24(29)10-8-20/h7-10,14-16,18-19,21,26,37H,5-6,11-13,17H2,1-4H3,(H2,30,31,38)/t19-,21+,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/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))
BDBM50372854
PNG
(CHEMBL257293)
Show SMILES C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-c1nnnn1C)C(C)C
Show InChI InChI=1S/C28H38FN7O2/c1-18(2)22-14-23(27-32-33-34-35(27)4)16-25(15-22)31-28(38)30-19(3)12-26(37)36-11-5-6-21(17-36)13-20-7-9-24(29)10-8-20/h7-10,14-16,18-19,21,26,37H,5-6,11-13,17H2,1-4H3,(H2,30,31,38)/t19-,21+,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+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))
BDBM50372854
PNG
(CHEMBL257293)
Show SMILES C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-c1nnnn1C)C(C)C
Show InChI InChI=1S/C28H38FN7O2/c1-18(2)22-14-23(27-32-33-34-35(27)4)16-25(15-22)31-28(38)30-19(3)12-26(37)36-11-5-6-21(17-36)13-20-7-9-24(29)10-8-20/h7-10,14-16,18-19,21,26,37H,5-6,11-13,17H2,1-4H3,(H2,30,31,38)/t19-,21+,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0200n/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