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: CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O

InChI Key: InChIKey=PKXWXXPNHIWQHW-RCBQFDQVSA-N

Data: 8 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 10 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/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gamma-Secretase (Homo sapiens (Human))	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O |r| Show InChI InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...				Bioorg Med Chem Lett 18: 4232-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.064 BindingDB Entry DOI: 10.7270/Q26Q1VJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile salt export pump (Homo sapiens (Human))	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O |r| Show InChI InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.72E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O |r| Show InChI InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as amyloid beta42 formation by ELISA				Bioorg Med Chem Lett 20: 1306-11 (2010) Article DOI: 10.1016/j.bmcl.2009.08.072 BindingDB Entry DOI: 10.7270/Q2M32ZK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O |r| Show InChI InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as decrease in total Abeta level after 24 hrs by DELFIA				Bioorg Med Chem Lett 20: 1306-11 (2010) Article DOI: 10.1016/j.bmcl.2009.08.072 BindingDB Entry DOI: 10.7270/Q2M32ZK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O |r| Show InChI InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) Curated by ChEMBL					Assay Description Inhibition of gamma secretase (unknown origin) mediated Notch signaling				J Med Chem 59: 7719-37 (2016) Article DOI: 10.1021/acs.jmedchem.5b01516
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O |r| Show InChI InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	126	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as increase in Abeta38 level after 24 hrs by DELFIA				Bioorg Med Chem Lett 20: 1306-11 (2010) Article DOI: 10.1016/j.bmcl.2009.08.072 BindingDB Entry DOI: 10.7270/Q2M32ZK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O |r| Show InChI InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as effect on Abeta40 level after 24 hrs by DELFIA				Bioorg Med Chem Lett 20: 1306-11 (2010) Article DOI: 10.1016/j.bmcl.2009.08.072 BindingDB Entry DOI: 10.7270/Q2M32ZK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O |r| Show InChI InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as amyloid beta40 formation by ELISA				Bioorg Med Chem Lett 20: 1306-11 (2010) Article DOI: 10.1016/j.bmcl.2009.08.072 BindingDB Entry DOI: 10.7270/Q2M32ZK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O |r| Show InChI InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) Curated by ChEMBL					Assay Description Inhibition of gamma secretase (unknown origin)				J Med Chem 59: 7719-37 (2016) Article DOI: 10.1021/acs.jmedchem.5b01516
					More data for this Ligand-Target Pair				3D Structure (crystal)
Presenilin-1 (Homo sapiens (Human))	BDBM28944 ((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...) Show SMILES CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O |r| Show InChI InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as decrease in Abeta42 level after 24 hrs by DELFIA				Bioorg Med Chem Lett 20: 1306-11 (2010) Article DOI: 10.1016/j.bmcl.2009.08.072 BindingDB Entry DOI: 10.7270/Q2M32ZK6
					More data for this Ligand-Target Pair				3D Structure (crystal)