null

SMILES: CC(C)[C@H](NC(=O)c1cnc(C)cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O

InChI Key: InChIKey=YUPMZKDDRSUSQN-ULDMLYOQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 8093   

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)	BDBM8093 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)c1cnc(C)cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C36H42N6O4/c1-23(2)33(42-35(45)31-21-38-24(3)20-39-31)36(46)41-29(18-25-10-6-4-7-11-25)32(43)22-40-30(34(37)44)19-26-14-16-28(17-15-26)27-12-8-5-9-13-27/h4-17,20-21,23,29-30,32-33,40,43H,18-19,22H2,1-3H3,(H2,37,44)(H,41,46)(H,42,45)/t29-,30-,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	82	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 II (Plasmodium falciparum)	BDBM8093 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)c1cnc(C)cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C36H42N6O4/c1-23(2)33(42-35(45)31-21-38-24(3)20-39-31)36(46)41-29(18-25-10-6-4-7-11-25)32(43)22-40-30(34(37)44)19-26-14-16-28(17-15-26)27-12-8-5-9-13-27/h4-17,20-21,23,29-30,32-33,40,43H,18-19,22H2,1-3H3,(H2,37,44)(H,41,46)(H,42,45)/t29-,30-,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	190	-9.07	n/a	n/a	n/a	n/a	n/a	4.5	22
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))	BDBM8093 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)c1cnc(C)cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C36H42N6O4/c1-23(2)33(42-35(45)31-21-38-24(3)20-39-31)36(46)41-29(18-25-10-6-4-7-11-25)32(43)22-40-30(34(37)44)19-26-14-16-28(17-15-26)27-12-8-5-9-13-27/h4-17,20-21,23,29-30,32-33,40,43H,18-19,22H2,1-3H3,(H2,37,44)(H,41,46)(H,42,45)/t29-,30-,32-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.90E+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