BDBM50461470 CHEMBL4225394

SMILES: Nc1nc2cc(ccc2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1

InChI Key: InChIKey=LOBCJUCVSNWELD-UHFFFAOYSA-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 = 50461470   

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)	BDBM50461470 (CHEMBL4225394) Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1 Show InChI InChI=1S/C28H29N3O2/c29-28-30-26-18-23(15-16-25(26)27(32)31(28)19-24-10-5-17-33-24)22-13-11-21(12-14-22)9-4-8-20-6-2-1-3-7-20/h1-3,6-7,11-16,18,24H,4-5,8-10,17,19H2,(H2,29,30)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	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
Plasmepsin 4 (PM-IV) (Plasmodium falciparum)	BDBM50461470 (CHEMBL4225394) Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1 Show InChI InChI=1S/C28H29N3O2/c29-28-30-26-18-23(15-16-25(26)27(32)31(28)19-24-10-5-17-33-24)22-13-11-21(12-14-22)9-4-8-20-6-2-1-3-7-20/h1-3,6-7,11-16,18,24H,4-5,8-10,17,19H2,(H2,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	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 2 (Plasmodium falciparum)	BDBM50461470 (CHEMBL4225394) Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1 Show InChI InChI=1S/C28H29N3O2/c29-28-30-26-18-23(15-16-25(26)27(32)31(28)19-24-10-5-17-33-24)22-13-11-21(12-14-22)9-4-8-20-6-2-1-3-7-20/h1-3,6-7,11-16,18,24H,4-5,8-10,17,19H2,(H2,29,30)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	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
Cathepsin D (Homo sapiens (Human))	BDBM50461470 (CHEMBL4225394) Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1 Show InChI InChI=1S/C28H29N3O2/c29-28-30-26-18-23(15-16-25(26)27(32)31(28)19-24-10-5-17-33-24)22-13-11-21(12-14-22)9-4-8-20-6-2-1-3-7-20/h1-3,6-7,11-16,18,24H,4-5,8-10,17,19H2,(H2,29,30)	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	>1.00E+5	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