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BDBM331997 5-Bromo-N-(3-methyl-pyridin-2-yl)-phthalamic acid::US10195186, Example 27

SMILES: Cc1cccnc1NC(=O)c1ccc(Br)cc1C(O)=O

InChI Key: InChIKey=GECWRDBPXLCGLO-UHFFFAOYSA-N

Data: 1 KI  1 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 = 331997   
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))
BDBM331997
PNG
(5-Bromo-N-(3-methyl-pyridin-2-yl)-phthalamic acid ...)
Show SMILES Cc1cccnc1NC(=O)c1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C14H11BrN2O3/c1-8-3-2-6-16-12(8)17-13(18)10-5-4-9(15)7-11(10)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.43E+3n/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))
BDBM331997
PNG
(5-Bromo-N-(3-methyl-pyridin-2-yl)-phthalamic acid ...)
Show SMILES Cc1cccnc1NC(=O)c1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C14H11BrN2O3/c1-8-3-2-6-16-12(8)17-13(18)10-5-4-9(15)7-11(10)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60E+3n/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