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BDBM50231346 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::CHEMBL428062

SMILES: CCN(CCCc1ccc(F)cc1)C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C

InChI Key: InChIKey=ZKBWRGSSTRYGHO-KOSHJBKYSA-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 = 50231346   
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))
BDBM50231346
PNG
(1-((2R,3S)-4-(ethyl(3-(4-fluorophenyl)propyl)amino...)
Show SMILES CCN(CCCc1ccc(F)cc1)C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H36FN7O2/c1-5-19-14-21(25-30-31-32-33(25)4)16-23(15-19)29-26(36)28-18(3)24(35)17-34(6-2)13-7-8-20-9-11-22(27)12-10-20/h9-12,14-16,18,24,35H,5-8,13,17H2,1-4H3,(H2,28,29,36)/t18-,24+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.00400n/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
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50231346
PNG
(1-((2R,3S)-4-(ethyl(3-(4-fluorophenyl)propyl)amino...)
Show SMILES CCN(CCCc1ccc(F)cc1)C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C26H36FN7O2/c1-5-19-14-21(25-30-31-32-33(25)4)16-23(15-19)29-26(36)28-18(3)24(35)17-34(6-2)13-7-8-20-9-11-22(27)12-10-20/h9-12,14-16,18,24,35H,5-8,13,17H2,1-4H3,(H2,28,29,36)/t18-,24+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/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