BDBM8108 (2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-5-yl)phenyl]-1-carbamoylethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-2-(cyclohexylformamido)-3-methylbutanamide::hydroxylethylamine scaffold 101::hydroxylethylamine scaffold 10{1)

SMILES: CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(N)=O

InChI Key: InChIKey=JKRGWHOQNLFCHN-ABVVNCBOSA-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 = 8108   

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)	BDBM8108 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...) Show SMILES CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(N)=O |r| Show InChI InChI=1S/C38H48N4O6/c1-24(2)35(42-37(45)28-11-7-4-8-12-28)38(46)41-30(19-25-9-5-3-6-10-25)32(43)22-40-31(36(39)44)20-26-13-15-27(16-14-26)29-17-18-33-34(21-29)48-23-47-33/h3,5-6,9-10,13-18,21,24,28,30-32,35,40,43H,4,7-8,11-12,19-20,22-23H2,1-2H3,(H2,39,44)(H,41,46)(H,42,45)/t30-,31-,32-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	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 Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM8108 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...) Show SMILES CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(N)=O |r| Show InChI InChI=1S/C38H48N4O6/c1-24(2)35(42-37(45)28-11-7-4-8-12-28)38(46)41-30(19-25-9-5-3-6-10-25)32(43)22-40-31(36(39)44)20-26-13-15-27(16-14-26)29-17-18-33-34(21-29)48-23-47-33/h3,5-6,9-10,13-18,21,24,28,30-32,35,40,43H,4,7-8,11-12,19-20,22-23H2,1-2H3,(H2,39,44)(H,41,46)(H,42,45)/t30-,31-,32-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	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 Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin D (Homo sapiens (Human))	BDBM8108 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...) Show SMILES CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(N)=O |r| Show InChI InChI=1S/C38H48N4O6/c1-24(2)35(42-37(45)28-11-7-4-8-12-28)38(46)41-30(19-25-9-5-3-6-10-25)32(43)22-40-31(36(39)44)20-26-13-15-27(16-14-26)29-17-18-33-34(21-29)48-23-47-33/h3,5-6,9-10,13-18,21,24,28,30-32,35,40,43H,4,7-8,11-12,19-20,22-23H2,1-2H3,(H2,39,44)(H,41,46)(H,42,45)/t30-,31-,32-,35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30E+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 Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair