BDBM50001071 CHEMBL3236065

SMILES: Cc1cc(NC(=O)CCN)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=OVEUXOPBEVJAHQ-LLSAVZCHSA-N

Data: 1 KI

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 1 hit for monomerid = 50001071   

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 2 (Plasmodium falciparum)	BDBM50001071 (CHEMBL3236065) Show SMILES Cc1cc(NC(=O)CCN)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C38H47N5O7S/c1-22-16-26(40-30(45)14-15-39)17-23(2)34(22)50-20-31(46)41-28(18-24-10-6-5-7-11-24)33(47)37(49)43-21-51-38(3,4)35(43)36(48)42-32-27-13-9-8-12-25(27)19-29(32)44/h5-13,16-17,28-29,32-33,35,44,47H,14-15,18-21,39H2,1-4H3,(H,40,45)(H,41,46)(H,42,48)/t28-,29+,32-,33-,35+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2				Bioorg Med Chem Lett 24: 1698-701 (2014) Article DOI: 10.1016/j.bmcl.2014.02.051 BindingDB Entry DOI: 10.7270/Q27S7Q8N
					More data for this Ligand-Target Pair