BDBM28944 (2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepin-1-yl]carbamoyl}ethyl]butanamide::LY450139::Semagacestat

SMILES: C[C@@H](C(=O)NC1c2ccccc2CCN(C1=O)C)NC(=O)[C@H](C(C)C)O

InChI Key: InChIKey=PKXWXXPNHIWQHW-UHFFFAOYSA-N

Data: 9 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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 11 hits for monomerid = 28944   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1 (Human)	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
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Bile salt export pump (Human)	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.72E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Presenilin-1 (Human)	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
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Presenilin-1 (Human)	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
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Presenilin-1 (Human)	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
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Presenilin-1 (Human)	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	126	n/a	n/a	n/a	n/a
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Presenilin-1 (Human)	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Presenilin-1 (Human)	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Presenilin-1 (Human)	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Presenilin-1 (Human)	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Presenilin-1 (Human)	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair