BDBM50339253 (Z/E)-(S)-2-((6-chloro-2-oxoindolin-3-ylidene)methylamino)-N-isopentyl-4-methylpentanamide::CHEMBL1689605

SMILES: CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)Nc2cc(Cl)ccc12

InChI Key: InChIKey=XMOQMMAKCIXIKM-DAFXYXGESA-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 = 50339253   

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
Cysteine protease falcipain-3 (Plasmodium falciparum)	BDBM50339253 ((Z/E)-(S)-2-((6-chloro-2-oxoindolin-3-ylidene)meth...) Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)Nc2cc(Cl)ccc12 |r,w:14.14| Show InChI InChI=1S/C20H28ClN3O2/c1-12(2)7-8-22-20(26)18(9-13(3)4)23-11-16-15-6-5-14(21)10-17(15)24-19(16)25/h5-6,10-13,16,18H,7-9H2,1-4H3,(H,22,26)(H,24,25)/t16?,18-/m0/s1	PDB MMDB KEGG 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 3 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
Falcipain-2 (Plasmodium falciparum)	BDBM50339253 ((Z/E)-(S)-2-((6-chloro-2-oxoindolin-3-ylidene)meth...) Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)Nc2cc(Cl)ccc12 |r,w:14.14| Show InChI InChI=1S/C20H28ClN3O2/c1-12(2)7-8-22-20(26)18(9-13(3)4)23-11-16-15-6-5-14(21)10-17(15)24-19(16)25/h5-6,10-13,16,18H,7-9H2,1-4H3,(H,22,26)(H,24,25)/t16?,18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.85E+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