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BDBM50163648 1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(3-fluoro-4-methyl-phenyl)-urea::CHEMBL363166

SMILES: Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1F

InChI Key: InChIKey=MQYFAGPXNWMFSN-AOJNWGRGSA-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 = 50163648   
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))
BDBM50163648
PNG
(1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-...)
Show SMILES Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1F
Show InChI InChI=1S/C27H35F2N3O/c1-19-8-13-24(16-25(19)29)30-27(33)31-26-7-3-2-6-22(26)18-32-14-4-5-21(17-32)15-20-9-11-23(28)12-10-20/h8-13,16,21-22,26H,2-7,14-15,17-18H2,1H3,(H2,30,31,33)/t21-,22-,26+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of eotaxin-induced chemotaxis of human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163648
PNG
(1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-...)
Show SMILES Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1F
Show InChI InChI=1S/C27H35F2N3O/c1-19-8-13-24(16-25(19)29)30-27(33)31-26-7-3-2-6-22(26)18-32-14-4-5-21(17-32)15-20-9-11-23(28)12-10-20/h8-13,16,21-22,26H,2-7,14-15,17-18H2,1H3,(H2,30,31,33)/t21-,22-,26+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of calcium mobilization in human eosinophils


J Med Chem 48: 2194-211 (2005)


Article DOI: 10.1021/jm049530m
BindingDB Entry DOI: 10.7270/Q2XP74F1
More data for this
Ligand-Target Pair