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BDBM159272 US10195186, Example 50::US9682967, 48

SMILES: OC(=O)c1cc(c(cc1C(=O)Nc1ccc2CCCCc2n1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=ACNDUARZMLLJJW-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 159272   
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 3


(Homo sapiens (Human))
BDBM159272
PNG
(US10195186, Example 50 | US9682967, 48)
Show SMILES OC(=O)c1cc(c(cc1C(=O)Nc1ccc2CCCCc2n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H14F6N2O3/c20-18(21,22)12-7-10(11(17(29)30)8-13(12)19(23,24)25)16(28)27-15-6-5-9-3-1-2-4-14(9)26-15/h5-8H,1-4H2,(H,29,30)(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
599n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)


BindingDB Entry DOI: 10.7270/Q2474CZW
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159272
PNG
(US10195186, Example 50 | US9682967, 48)
Show SMILES OC(=O)c1cc(c(cc1C(=O)Nc1ccc2CCCCc2n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H14F6N2O3/c20-18(21,22)12-7-10(11(17(29)30)8-13(12)19(23,24)25)16(28)27-15-6-5-9-3-1-2-4-14(9)26-15/h5-8H,1-4H2,(H,29,30)(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
721n/a 760n/an/an/an/a7.4n/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US9682967 (2017)


BindingDB Entry DOI: 10.7270/Q22805SC
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM159272
PNG
(US10195186, Example 50 | US9682967, 48)
Show SMILES OC(=O)c1cc(c(cc1C(=O)Nc1ccc2CCCCc2n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H14F6N2O3/c20-18(21,22)12-7-10(11(17(29)30)8-13(12)19(23,24)25)16(28)27-15-6-5-9-3-1-2-4-14(9)26-15/h5-8H,1-4H2,(H,29,30)(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 620n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...


US Patent US10195186 (2019)


BindingDB Entry DOI: 10.7270/Q2474CZW
More data for this
Ligand-Target Pair