BDBM8026 (2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylphenyl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-(pyridin-2-ylformamido)butanamide::(2S,5S,6R)-3-Aza-5-hydroxy-7-phenyl-2-(p-phenylbenzyl)-6-[(picolyl-L-valinyl)amino]heptanoyl Amide::hydroxyethylamine-based inhibitor 16a

SMILES: CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O

InChI Key: InChIKey=QBBPIOZJQQZCKA-YRCZKMHPSA-N

Data: 3 KI

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 3 hits for monomerid = 8026   

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
Plasmepsin I (Plasmodium falciparum)	BDBM8026 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C36H41N5O4/c1-24(2)33(41-35(44)29-15-9-10-20-38-29)36(45)40-30(21-25-11-5-3-6-12-25)32(42)23-39-31(34(37)43)22-26-16-18-28(19-17-26)27-13-7-4-8-14-27/h3-20,24,30-33,39,42H,21-23H2,1-2H3,(H2,37,43)(H,40,45)(H,41,44)/t30-,31-,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Med Chem 46: 734-46 (2003) Article DOI: 10.1021/jm020951i BindingDB Entry DOI: 10.7270/Q2N29V56
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM8026 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C36H41N5O4/c1-24(2)33(41-35(44)29-15-9-10-20-38-29)36(45)40-30(21-25-11-5-3-6-12-25)32(42)23-39-31(34(37)43)22-26-16-18-28(19-17-26)27-13-7-4-8-14-27/h3-20,24,30-33,39,42H,21-23H2,1-2H3,(H2,37,43)(H,40,45)(H,41,44)/t30-,31-,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Med Chem 46: 734-46 (2003) Article DOI: 10.1021/jm020951i BindingDB Entry DOI: 10.7270/Q2N29V56
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM8026 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C36H41N5O4/c1-24(2)33(41-35(44)29-15-9-10-20-38-29)36(45)40-30(21-25-11-5-3-6-12-25)32(42)23-39-31(34(37)43)22-26-16-18-28(19-17-26)27-13-7-4-8-14-27/h3-20,24,30-33,39,42H,21-23H2,1-2H3,(H2,37,43)(H,40,45)(H,41,44)/t30-,31-,32-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Med Chem 46: 734-46 (2003) Article DOI: 10.1021/jm020951i BindingDB Entry DOI: 10.7270/Q2N29V56
					More data for this Ligand-Target Pair