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BDBM50163678 1-[3,5-Bis-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-{(1R,2S)-2-[(S)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea::CHEMBL382108

SMILES: Cn1nnnc1-c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C

InChI Key: InChIKey=DRZLAUYXLXUZDX-BCQCSXDESA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50163678   
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))
BDBM50163678
PNG
(1-[3,5-Bis-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-{...)
Show SMILES Cn1nnnc1-c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C30H38FN11O/c1-40-28(34-36-38-40)23-15-24(29-35-37-39-41(29)2)17-26(16-23)32-30(43)33-27-8-4-3-7-22(27)19-42-13-5-6-21(18-42)14-20-9-11-25(31)12-10-20/h9-12,15-17,21-22,27H,3-8,13-14,18-19H2,1-2H3,(H2,32,33,43)/t21-,22-,27+/m0/s1
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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/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))
BDBM50163678
PNG
(1-[3,5-Bis-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-{...)
Show SMILES Cn1nnnc1-c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C30H38FN11O/c1-40-28(34-36-38-40)23-15-24(29-35-37-39-41(29)2)17-26(16-23)32-30(43)33-27-8-4-3-7-22(27)19-42-13-5-6-21(18-42)14-20-9-11-25(31)12-10-20/h9-12,15-17,21-22,27H,3-8,13-14,18-19H2,1-2H3,(H2,32,33,43)/t21-,22-,27+/m0/s1
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
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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))
BDBM50163678
PNG
(1-[3,5-Bis-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-{...)
Show SMILES Cn1nnnc1-c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C30H38FN11O/c1-40-28(34-36-38-40)23-15-24(29-35-37-39-41(29)2)17-26(16-23)32-30(43)33-27-8-4-3-7-22(27)19-42-13-5-6-21(18-42)14-20-9-11-25(31)12-10-20/h9-12,15-17,21-22,27H,3-8,13-14,18-19H2,1-2H3,(H2,32,33,43)/t21-,22-,27+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0420n/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