BDBM50461482 CHEMBL4225299

SMILES: CCCCCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O

InChI Key: InChIKey=XDHIEWBZJYZMBU-QCENPCRXSA-N

Data: 4 IC50

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 4 hits for monomerid = 50461482   

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 4 (PM-IV) (Plasmodium falciparum)	BDBM50461482 (CHEMBL4225299) Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r| Show InChI InChI=1S/C33H39N3O2/c1-2-3-4-5-6-8-11-24-14-16-25(17-15-24)27-18-20-29-30(22-27)35-33(34)36(32(29)37)23-28-19-21-31(38-28)26-12-9-7-10-13-26/h7,9-10,12-18,20,22,28,31H,2-6,8,11,19,21,23H2,1H3,(H2,34,35)/t28-,31+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 4 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50461482 (CHEMBL4225299) Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r| Show InChI InChI=1S/C33H39N3O2/c1-2-3-4-5-6-8-11-24-14-16-25(17-15-24)27-18-20-29-30(22-27)35-33(34)36(32(29)37)23-28-19-21-31(38-28)26-12-9-7-10-13-26/h7,9-10,12-18,20,22,28,31H,2-6,8,11,19,21,23H2,1H3,(H2,34,35)/t28-,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50461482 (CHEMBL4225299) Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r| Show InChI InChI=1S/C33H39N3O2/c1-2-3-4-5-6-8-11-24-14-16-25(17-15-24)27-18-20-29-30(22-27)35-33(34)36(32(29)37)23-28-19-21-31(38-28)26-12-9-7-10-13-26/h7,9-10,12-18,20,22,28,31H,2-6,8,11,19,21,23H2,1H3,(H2,34,35)/t28-,31+/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	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by substrate additi...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM50461482 (CHEMBL4225299) Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r| Show InChI InChI=1S/C33H39N3O2/c1-2-3-4-5-6-8-11-24-14-16-25(17-15-24)27-18-20-29-30(22-27)35-33(34)36(32(29)37)23-28-19-21-31(38-28)26-12-9-7-10-13-26/h7,9-10,12-18,20,22,28,31H,2-6,8,11,19,21,23H2,1H3,(H2,34,35)/t28-,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair