BDBM50448549 CHEMBL3127106

SMILES CN1C(N)=N[C@@]2([C@H]3COCC[C@@H]3Oc3ccc(cc23)-c2cccnc2F)C1=O

InChI Key InChIKey=DWEUDIDNAOSEBW-UVFQYZLESA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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

Found 3 hits for monomerid = 50448549   

TargetBeta-secretase 1(Homo sapiens (Human))
Array BioPharma

Curated by ChEMBL
LigandPNGBDBM50448549(CHEMBL3127106)
Show SMILES CN1C(N)=N[C@@]2([C@H]3COCC[C@@H]3Oc3ccc(cc23)-c2cccnc2F)C1=O
Show InChI InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-9-11(12-3-2-7-23-17(12)21)4-5-15(13)28-16-6-8-27-10-14(16)20/h2-5,7,9,14,16H,6,8,10H2,1H3,(H2,22,24)/t14-,16-,20-/m0/s1
Affinity DataIC50: 9.90nMAssay Description:Inhibition of BACE1 in HEK293 cells expressing swedish double mutant APP assessed as amyloid beta (1 to 40) peptide level after 7 hrs by HTRF assayMore data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
Array BioPharma

Curated by ChEMBL
LigandPNGBDBM50448549(CHEMBL3127106)
Show SMILES CN1C(N)=N[C@@]2([C@H]3COCC[C@@H]3Oc3ccc(cc23)-c2cccnc2F)C1=O
Show InChI InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-9-11(12-3-2-7-23-17(12)21)4-5-15(13)28-16-6-8-27-10-14(16)20/h2-5,7,9,14,16H,6,8,10H2,1H3,(H2,22,24)/t14-,16-,20-/m0/s1
Affinity DataIC50: 840nMAssay Description:Inhibition of human liver cathepsin D measured for 1 hr by FRET assayMore data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
Array BioPharma

Curated by ChEMBL
LigandPNGBDBM50448549(CHEMBL3127106)
Show SMILES CN1C(N)=N[C@@]2([C@H]3COCC[C@@H]3Oc3ccc(cc23)-c2cccnc2F)C1=O
Show InChI InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-9-11(12-3-2-7-23-17(12)21)4-5-15(13)28-16-6-8-27-10-14(16)20/h2-5,7,9,14,16H,6,8,10H2,1H3,(H2,22,24)/t14-,16-,20-/m0/s1
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of human liver cathepsin D measured for 1 hr by FRET assayMore data for this Ligand-Target Pair