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BDBM50163650 1-(3,5-Diacetyl-phenyl)-3-{(1R,2S)-2-[(S)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea::CHEMBL193575

SMILES: CC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)C(C)=O

InChI Key: InChIKey=XNECWHFEDUTGHE-NDIVSWGXSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50163650   
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))
BDBM50163650
PNG
(1-(3,5-Diacetyl-phenyl)-3-{(1R,2S)-2-[(S)-3-(4-flu...)
Show SMILES CC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)C(C)=O
Show InChI InChI=1S/C30H38FN3O3/c1-20(35)25-15-26(21(2)36)17-28(16-25)32-30(37)33-29-8-4-3-7-24(29)19-34-13-5-6-23(18-34)14-22-9-11-27(31)12-10-22/h9-12,15-17,23-24,29H,3-8,13-14,18-19H2,1-2H3,(H2,32,33,37)/t23-,24-,29+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expressed in CHO cells


J Med Chem 48: 2194-211 (2005)


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


(Homo sapiens (Human))
BDBM50163650
PNG
(1-(3,5-Diacetyl-phenyl)-3-{(1R,2S)-2-[(S)-3-(4-flu...)
Show SMILES CC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)C(C)=O
Show InChI InChI=1S/C30H38FN3O3/c1-20(35)25-15-26(21(2)36)17-28(16-25)32-30(37)33-29-8-4-3-7-24(29)19-34-13-5-6-23(18-34)14-22-9-11-27(31)12-10-22/h9-12,15-17,23-24,29H,3-8,13-14,18-19H2,1-2H3,(H2,32,33,37)/t23-,24-,29+/m0/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



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
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50163650
PNG
(1-(3,5-Diacetyl-phenyl)-3-{(1R,2S)-2-[(S)-3-(4-flu...)
Show SMILES CC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)C(C)=O
Show InChI InChI=1S/C30H38FN3O3/c1-20(35)25-15-26(21(2)36)17-28(16-25)32-30(37)33-29-8-4-3-7-24(29)19-34-13-5-6-23(18-34)14-22-9-11-27(31)12-10-22/h9-12,15-17,23-24,29H,3-8,13-14,18-19H2,1-2H3,(H2,32,33,37)/t23-,24-,29+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.00700n/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
More data for this
Ligand-Target Pair