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BDBM50372833 CHEMBL427728

SMILES: CCc1cc(NC(=O)N[C@H](C)CCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C

InChI Key: InChIKey=IQUQYZRIYXKKDB-KNQAVFIVSA-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 = 50372833   
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))
BDBM50372833
PNG
(CHEMBL427728)
Show SMILES CCc1cc(NC(=O)N[C@H](C)CCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H36FN7O/c1-4-20-15-23(26-31-32-33-34(26)3)17-25(16-20)30-27(36)29-19(2)11-13-35-12-5-6-22(18-35)14-21-7-9-24(28)10-8-21/h7-10,15-17,19,22H,4-6,11-14,18H2,1-3H3,(H2,29,30,36)/t19-,22+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/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))
BDBM50372833
PNG
(CHEMBL427728)
Show SMILES CCc1cc(NC(=O)N[C@H](C)CCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H36FN7O/c1-4-20-15-23(26-31-32-33-34(26)3)17-25(16-20)30-27(36)29-19(2)11-13-35-12-5-6-22(18-35)14-21-7-9-24(28)10-8-21/h7-10,15-17,19,22H,4-6,11-14,18H2,1-3H3,(H2,29,30,36)/t19-,22+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/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))
BDBM50372833
PNG
(CHEMBL427728)
Show SMILES CCc1cc(NC(=O)N[C@H](C)CCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H36FN7O/c1-4-20-15-23(26-31-32-33-34(26)3)17-25(16-20)30-27(36)29-19(2)11-13-35-12-5-6-22(18-35)14-21-7-9-24(28)10-8-21/h7-10,15-17,19,22H,4-6,11-14,18H2,1-3H3,(H2,29,30,36)/t19-,22+/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