BDBM8105 (2E)-3-(3-{4-[(2S)-2-carbamoyl-2-{[(2S,3S)-2-hydroxy-3-[(2S)-3-methyl-2-(pyridin-2-ylformamido)butanamido]-4-phenylbutyl]amino}ethyl]phenyl}phenyl)prop-2-enoic acid::hydroxylethylamine scaffold 96::hydroxylethylamine scaffold 9{6}

SMILES: CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cccc(\C=C\C(O)=O)c1)C(N)=O

InChI Key: InChIKey=YWMDSRRLBYMDPX-YCHKPNIZSA-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 = 8105   

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)	BDBM8105 ((2E)-3-(3-{4-[(2S)-2-carbamoyl-2-{[(2S,3S)-2-hydro...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cccc(\C=C\C(O)=O)c1)C(N)=O |r| Show InChI InChI=1S/C39H43N5O6/c1-25(2)36(44-38(49)31-13-6-7-20-41-31)39(50)43-32(22-26-9-4-3-5-10-26)34(45)24-42-33(37(40)48)23-28-14-17-29(18-15-28)30-12-8-11-27(21-30)16-19-35(46)47/h3-21,25,32-34,36,42,45H,22-24H2,1-2H3,(H2,40,48)(H,43,50)(H,44,49)(H,46,47)/b19-16+/t32-,33-,34-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	42	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)	BDBM8105 ((2E)-3-(3-{4-[(2S)-2-carbamoyl-2-{[(2S,3S)-2-hydro...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cccc(\C=C\C(O)=O)c1)C(N)=O |r| Show InChI InChI=1S/C39H43N5O6/c1-25(2)36(44-38(49)31-13-6-7-20-41-31)39(50)43-32(22-26-9-4-3-5-10-26)34(45)24-42-33(37(40)48)23-28-14-17-29(18-15-28)30-12-8-11-27(21-30)16-19-35(46)47/h3-21,25,32-34,36,42,45H,22-24H2,1-2H3,(H2,40,48)(H,43,50)(H,44,49)(H,46,47)/b19-16+/t32-,33-,34-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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
Cathepsin D (Homo sapiens (Human))	BDBM8105 ((2E)-3-(3-{4-[(2S)-2-carbamoyl-2-{[(2S,3S)-2-hydro...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cccc(\C=C\C(O)=O)c1)C(N)=O |r| Show InChI InChI=1S/C39H43N5O6/c1-25(2)36(44-38(49)31-13-6-7-20-41-31)39(50)43-32(22-26-9-4-3-5-10-26)34(45)24-42-33(37(40)48)23-28-14-17-29(18-15-28)30-12-8-11-27(21-30)16-19-35(46)47/h3-21,25,32-34,36,42,45H,22-24H2,1-2H3,(H2,40,48)(H,43,50)(H,44,49)(H,46,47)/b19-16+/t32-,33-,34-,36-/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	300	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