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SMILES: C[C@@H]1CN(CC[C@]1(C(O)=O)c1ccccc1)[C@H]1CC[C@](CC1)(C#N)c1ccc(F)cc1

InChI Key: InChIKey=ZCGOMHNNNFPNMX-KYTRFIICSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50019405   
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
Neurotensin receptor type 2


(Rattus norvegicus)
BDBM50019405
PNG
(LEVOCABASTINE | R-50547)
Show SMILES C[C@@H]1CN(CC[C@]1(C(O)=O)c1ccccc1)[C@H]1CC[C@](CC1)(C#N)c1ccc(F)cc1 |wU:6.7,16.17,19.24,wD:1.0,6.10,19.26,(9.61,3.85,;8.28,3.08,;8.28,1.54,;6.95,.77,;5.61,1.54,;5.61,3.08,;6.95,3.85,;7.67,5.21,;9.21,5.26,;7.78,6.75,;6.22,5.21,;4.68,5.26,;3.96,6.62,;4.78,7.93,;6.32,7.88,;7.04,6.52,;6.95,-.77,;8.28,-1.54,;8.28,-3.08,;6.95,-3.85,;5.61,-3.08,;5.61,-1.54,;6.22,-5.21,;5.5,-6.57,;7.67,-5.21,;9.21,-5.26,;9.93,-6.62,;9.11,-7.93,;9.84,-9.29,;7.57,-7.88,;6.85,-6.52,)|
Show InChI InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23-,25-,26-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
33n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Rattus norvegicus)
BDBM50019405
PNG
(LEVOCABASTINE | R-50547)
Show SMILES C[C@@H]1CN(CC[C@]1(C(O)=O)c1ccccc1)[C@H]1CC[C@](CC1)(C#N)c1ccc(F)cc1 |wU:6.7,16.17,19.24,wD:1.0,6.10,19.26,(9.61,3.85,;8.28,3.08,;8.28,1.54,;6.95,.77,;5.61,1.54,;5.61,3.08,;6.95,3.85,;7.67,5.21,;9.21,5.26,;7.78,6.75,;6.22,5.21,;4.68,5.26,;3.96,6.62,;4.78,7.93,;6.32,7.88,;7.04,6.52,;6.95,-.77,;8.28,-1.54,;8.28,-3.08,;6.95,-3.85,;5.61,-3.08,;5.61,-1.54,;6.22,-5.21,;5.5,-6.57,;7.67,-5.21,;9.21,-5.26,;9.93,-6.62,;9.11,-7.93,;9.84,-9.29,;7.57,-7.88,;6.85,-6.52,)|
Show InChI InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23-,25-,26-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 28n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at rat NTS2 stably expressed in CHOK1 cells assessed as induction of calcium release by FLIPR assay


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair