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SMILES: Cc1ccnc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)c1

InChI Key: InChIKey=GWDPOZRJROLWRC-UHFFFAOYSA-N

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 = 159117   
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
Sortilin


(Homo sapiens (Human))
BDBM159117
PNG
(US10195186, Example 8 | US9682967, 8)
Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C15H11F3N2O3/c1-8-4-5-19-12(6-8)20-13(21)10-3-2-9(15(16,17)18)7-11(10)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
952n/a 1.00E+3n/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
Sortilin


(Homo sapiens (Human))
BDBM159117
PNG
(US10195186, Example 8 | US9682967, 8)
Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C15H11F3N2O3/c1-8-4-5-19-12(6-8)20-13(21)10-3-2-9(15(16,17)18)7-11(10)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
952n/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
Sortilin


(Homo sapiens (Human))
BDBM159117
PNG
(US10195186, Example 8 | US9682967, 8)
Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C15H11F3N2O3/c1-8-4-5-19-12(6-8)20-13(21)10-3-2-9(15(16,17)18)7-11(10)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+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