BDBM50461472 CHEMBL4227074

SMILES: CCCCCc1ccc(cc1)-c1cc(-c2ccc(cc2)C(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O

InChI Key: InChIKey=NVOLQOLIKBYGFU-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 = 50461472   

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)	BDBM50461472 (CHEMBL4227074) Show SMILES CCCCCc1ccc(cc1)-c1cc(-c2ccc(cc2)C(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C31H33N3O4/c1-2-3-4-6-20-8-10-21(11-9-20)24-17-26(22-12-14-23(15-13-22)30(36)37)28-27(18-24)33-31(32)34(29(28)35)19-25-7-5-16-38-25/h8-15,17-18,25H,2-7,16,19H2,1H3,(H2,32,33)(H,36,37)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+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
Cathepsin D (Homo sapiens (Human))	BDBM50461472 (CHEMBL4227074) Show SMILES CCCCCc1ccc(cc1)-c1cc(-c2ccc(cc2)C(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C31H33N3O4/c1-2-3-4-6-20-8-10-21(11-9-20)24-17-26(22-12-14-23(15-13-22)30(36)37)28-27(18-24)33-31(32)34(29(28)35)19-25-7-5-16-38-25/h8-15,17-18,25H,2-7,16,19H2,1H3,(H2,32,33)(H,36,37)	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	2.90E+4	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)	BDBM50461472 (CHEMBL4227074) Show SMILES CCCCCc1ccc(cc1)-c1cc(-c2ccc(cc2)C(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C31H33N3O4/c1-2-3-4-6-20-8-10-21(11-9-20)24-17-26(22-12-14-23(15-13-22)30(36)37)28-27(18-24)33-31(32)34(29(28)35)19-25-7-5-16-38-25/h8-15,17-18,25H,2-7,16,19H2,1H3,(H2,32,33)(H,36,37)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	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
Plasmepsin 4 (PM-IV) (Plasmodium falciparum)	BDBM50461472 (CHEMBL4227074) Show SMILES CCCCCc1ccc(cc1)-c1cc(-c2ccc(cc2)C(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C31H33N3O4/c1-2-3-4-6-20-8-10-21(11-9-20)24-17-26(22-12-14-23(15-13-22)30(36)37)28-27(18-24)33-31(32)34(29(28)35)19-25-7-5-16-38-25/h8-15,17-18,25H,2-7,16,19H2,1H3,(H2,32,33)(H,36,37)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	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