BDBM50362538 CHEMBL1941015

SMILES: COc1ccc(OC)c(c1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1

InChI Key: InChIKey=QQLKHPXVRFVHMI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50362538   

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))	BDBM50362538 (CHEMBL1941015) Show SMILES COc1ccc(OC)c(c1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C22H19N3O3/c1-27-15-10-11-21(28-2)16(13-15)20(26)14-25-19-9-4-3-7-17(19)24-22(25)18-8-5-6-12-23-18/h3-13H,14H2,1-2H3	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	2.12E+4	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 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM50362538 (CHEMBL1941015) Show SMILES COc1ccc(OC)c(c1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C22H19N3O3/c1-27-15-10-11-21(28-2)16(13-15)20(26)14-25-19-9-4-3-7-17(19)24-22(25)18-8-5-6-12-23-18/h3-13H,14H2,1-2H3	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	3.40E+4	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 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair