null

SMILES: CCCc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O

InChI Key: InChIKey=KRRTZBKOMSWLBV-HZWDEHNZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 8095   

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)	BDBM8095 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C43H50N6O4/c1-4-14-38-35(27-46-49(38)34-19-12-7-13-20-34)42(52)48-40(29(2)3)43(53)47-36(25-30-15-8-5-9-16-30)39(50)28-45-37(41(44)51)26-31-21-23-33(24-22-31)32-17-10-6-11-18-32/h5-13,15-24,27,29,36-37,39-40,45,50H,4,14,25-26,28H2,1-3H3,(H2,44,51)(H,47,53)(H,48,52)/t36-,37-,39-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33	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)	BDBM8095 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C43H50N6O4/c1-4-14-38-35(27-46-49(38)34-19-12-7-13-20-34)42(52)48-40(29(2)3)43(53)47-36(25-30-15-8-5-9-16-30)39(50)28-45-37(41(44)51)26-31-21-23-33(24-22-31)32-17-10-6-11-18-32/h5-13,15-24,27,29,36-37,39-40,45,50H,4,14,25-26,28H2,1-3H3,(H2,44,51)(H,47,53)(H,48,52)/t36-,37-,39-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	62	-9.73	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))	BDBM8095 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C43H50N6O4/c1-4-14-38-35(27-46-49(38)34-19-12-7-13-20-34)42(52)48-40(29(2)3)43(53)47-36(25-30-15-8-5-9-16-30)39(50)28-45-37(41(44)51)26-31-21-23-33(24-22-31)32-17-10-6-11-18-32/h5-13,15-24,27,29,36-37,39-40,45,50H,4,14,25-26,28H2,1-3H3,(H2,44,51)(H,47,53)(H,48,52)/t36-,37-,39-,40-/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	1.70E+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