BDBM50377588 CHEMBL257594

SMILES: Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C

InChI Key: InChIKey=ZJTYPGUYLZBCCX-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 = 50377588   

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))	BDBM50377588 (CHEMBL257594) Show SMILES Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377588 (CHEMBL257594) Show SMILES Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM50377588 (CHEMBL257594) Show SMILES Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 2				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM50377588 (CHEMBL257594) Show SMILES Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair