BDBM50339271 (Z/E)-3-((3-(7-chloroquinolin-4-ylamino)propylamino)methylene)-1-methylindolin-2-one::CHEMBL1689615

SMILES: CN1C(=O)C(C=NCCCNc2ccnc3cc(Cl)ccc23)c2ccccc12

InChI Key: InChIKey=AEZWBKSJTWQURX-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50339271   

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
Falcipain-2 (Plasmodium falciparum)	BDBM50339271 ((Z/E)-3-((3-(7-chloroquinolin-4-ylamino)propylamin...) Show SMILES CN1C(=O)C(C=NCCCNc2ccnc3cc(Cl)ccc23)c2ccccc12 |w:5.4| Show InChI InChI=1S/C22H21ClN4O/c1-27-21-6-3-2-5-16(21)18(22(27)28)14-24-10-4-11-25-19-9-12-26-20-13-15(23)7-8-17(19)20/h2-3,5-9,12-14,18H,4,10-11H2,1H3,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...				Eur J Med Chem 46: 927-33 (2011) Article DOI: 10.1016/j.ejmech.2011.01.008 BindingDB Entry DOI: 10.7270/Q2ZC8345
					More data for this Ligand-Target Pair