BDBM50139141 CHEMBL3764837

SMILES: Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@H](O1)c1ccccc1)-c1ccccc1

InChI Key: InChIKey=ZFQQCJCOZGMLDR-REWPJTCUSA-N

Data: 3 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 3 hits for monomerid = 50139141   

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
Cathepsin D (Homo sapiens (Human))	BDBM50139141 (CHEMBL3764837) Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@H](O1)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+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 CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...				J Med Chem 59: 374-87 (2016) BindingDB Entry DOI: 10.7270/Q26975DP
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50139141 (CHEMBL3764837) Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@H](O1)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition...				J Med Chem 59: 374-87 (2016) BindingDB Entry DOI: 10.7270/Q26975DP
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM50139141 (CHEMBL3764837) Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@H](O1)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis				J Med Chem 59: 374-87 (2016) BindingDB Entry DOI: 10.7270/Q26975DP
					More data for this Ligand-Target Pair