BDBM912 (3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-methyl-4-[(2S)-3-methyl-2-[(2S)-3-methyl-2-(3-methylbutanamido)butanamido]butanamido]heptanamido]propanamido]-6-methylheptanoic acid::CHEMBL296588::Iva-Val-Val-Sta-Ala-Sta-OH::N-[(3-Methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl]-4-amino-3-hydroxy-6-methylheptanoic acid::PEPSTATIN::Pepstatine::US9115083, Pepstatin

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

InChI Key: InChIKey=FAXGPCHRFPCXOO-UHFFFAOYSA-N

Data: 20 KI  72 IC50  1 Kd

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 93 hits for monomerid = 912   

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
Renin (Rat)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rabbit)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Pepsin A (Pig)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Bovine)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chymotrypsin-C (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	6.0	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Rat)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Rat)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Bovine)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Pepsin A (Pig)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Bovine)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Pepsin A (Pig)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin E (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.181	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin E (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin E (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Candidapepsin-2 (Yeast)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.693	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin E (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.446	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9 (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin E (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin E (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.173	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cysteine protease (Leishmania donovani)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Pepsin A-5 (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.46	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	0.00371	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (malaria parasite P. falciparum)	BDBM912 (PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair