BDBM8111 (2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)phenyl]-1-carbamoylethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-2-[3-(1H-indol-3-yl)propanamido]-3-methylbutanamide::hydroxylethylamine scaffold 113::hydroxylethylamine scaffold 11{3}

SMILES: CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O

InChI Key: InChIKey=REWNWUGOMLIAMP-WFPGISQVSA-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 = 8111   

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)	BDBM8111 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r| Show InChI InChI=1S/C43H47N5O5/c1-27(2)41(48-40(50)21-20-32-25-45-34-14-8-7-13-33(32)34)43(52)47-35(22-28-10-4-3-5-11-28)37(49)26-46-36(42(44)51)23-29-16-18-30(19-17-29)39-24-31-12-6-9-15-38(31)53-39/h3-19,24-25,27,35-37,41,45-46,49H,20-23,26H2,1-2H3,(H2,44,51)(H,47,52)(H,48,50)/t35-,36-,37-,41-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	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)	BDBM8111 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r| Show InChI InChI=1S/C43H47N5O5/c1-27(2)41(48-40(50)21-20-32-25-45-34-14-8-7-13-33(32)34)43(52)47-35(22-28-10-4-3-5-11-28)37(49)26-46-36(42(44)51)23-29-16-18-30(19-17-29)39-24-31-12-6-9-15-38(31)53-39/h3-19,24-25,27,35-37,41,45-46,49H,20-23,26H2,1-2H3,(H2,44,51)(H,47,52)(H,48,50)/t35-,36-,37-,41-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	95	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
Cathepsin D (Homo sapiens (Human))	BDBM8111 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r| Show InChI InChI=1S/C43H47N5O5/c1-27(2)41(48-40(50)21-20-32-25-45-34-14-8-7-13-33(32)34)43(52)47-35(22-28-10-4-3-5-11-28)37(49)26-46-36(42(44)51)23-29-16-18-30(19-17-29)39-24-31-12-6-9-15-38(31)53-39/h3-19,24-25,27,35-37,41,45-46,49H,20-23,26H2,1-2H3,(H2,44,51)(H,47,52)(H,48,50)/t35-,36-,37-,41-/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	180	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