BDBM50188338 CHEMBL411711::N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(2H-Tetrazol-5-yl)phenylcarbamoyl)-1-hydroxy-3-phenylpropan-2-ylcarbamoyl)-3-cyclohexylpropylcarbamoyl)-2-amino-6-methyl-3-oxoheptyl)-2H-tetrazole-5-carboxamide::N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(3-(2H-tetrazol-5-yl)phenylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-2-amino-3-oxopropyl)-2H-tetrazole-5-carboxamide

SMILES: CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1

InChI Key: InChIKey=ZNHGODVQRJHRGJ-MYHRABSESA-N

Data: 2 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 = 50188338   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50188338 (CHEMBL411711 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C36H48N14O6/c1-20(2)28(42-32(52)25(37)19-38-36(56)31-45-49-50-46-31)34(54)41-27(17-22-12-7-4-8-13-22)33(53)40-26(16-21-10-5-3-6-11-21)29(51)35(55)39-24-15-9-14-23(18-24)30-43-47-48-44-30/h3,5-6,9-11,14-15,18,20,22,25-29,51H,4,7-8,12-13,16-17,19,37H2,1-2H3,(H,38,56)(H,39,55)(H,40,53)(H,41,54)(H,42,52)(H,43,44,47,48)(H,45,46,49,50)/t25-,26-,27-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET assay				Bioorg Med Chem 18: 3175-86 (2010) Article DOI: 10.1016/j.bmc.2010.03.032 BindingDB Entry DOI: 10.7270/Q26M36ZV
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50188338 (CHEMBL411711 | N-((2S,5S)-5-((S)-1-((1R,2S)-1-(3-(...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C36H48N14O6/c1-20(2)28(42-32(52)25(37)19-38-36(56)31-45-49-50-46-31)34(54)41-27(17-22-12-7-4-8-13-22)33(53)40-26(16-21-10-5-3-6-11-21)29(51)35(55)39-24-15-9-14-23(18-24)30-43-47-48-44-30/h3,5-6,9-11,14-15,18,20,22,25-29,51H,4,7-8,12-13,16-17,19,37H2,1-2H3,(H,38,56)(H,39,55)(H,40,53)(H,41,54)(H,42,52)(H,43,44,47,48)(H,45,46,49,50)/t25-,26-,27-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1				Bioorg Med Chem Lett 16: 4354-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.046 BindingDB Entry DOI: 10.7270/Q26M36F4
					More data for this Ligand-Target Pair