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BDBM50231350 1-((2R,3S)-4-(ethyl(3-(4-fluorophenyl)propyl)amino)-3-hydroxybutan-2-yl)-3-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)urea::CHEMBL254930

SMILES: CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C

InChI Key: InChIKey=SGWACYVRKXWJNK-QLWBXOBMSA-N

Data: 2 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 2 hits for monomerid = 50231350   
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))
BDBM50231350
PNG
(1-((2R,3S)-4-(ethyl(3-(4-fluorophenyl)propyl)amino...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H36FN7O2/c1-4-19-13-22(26-31-32-33-34(26)3)15-24(14-19)30-27(37)29-18(2)25(36)17-35-11-5-6-21(16-35)12-20-7-9-23(28)10-8-20/h7-10,13-15,18,21,25,36H,4-6,11-12,16-17H2,1-3H3,(H2,29,30,37)/t18-,21+,25+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231350
PNG
(1-((2R,3S)-4-(ethyl(3-(4-fluorophenyl)propyl)amino...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C27H36FN7O2/c1-4-19-13-22(26-31-32-33-34(26)3)15-24(14-19)30-27(37)29-18(2)25(36)17-35-11-5-6-21(16-35)12-20-7-9-23(28)10-8-20/h7-10,13-15,18,21,25,36H,4-6,11-12,16-17H2,1-3H3,(H2,29,30,37)/t18-,21+,25+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.0130n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
More data for this
Ligand-Target Pair