BDBM50339254 (Z/E)-(S)-N-isopentyl-2-((2-oxoindolin-3-ylidene)methylamino)-4-phenylbutanamide::CHEMBL1689609

SMILES: CC(C)CCNC(=O)[C@H](CCc1ccccc1)N=CC1C(=O)Nc2ccccc12

InChI Key: InChIKey=LXLDBYQWSBTJAC-IAXKEJLGSA-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 = 50339254   

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)	BDBM50339254 ((Z/E)-(S)-N-isopentyl-2-((2-oxoindolin-3-ylidene)m...) Show SMILES CC(C)CCNC(=O)[C@H](CCc1ccccc1)N=CC1C(=O)Nc2ccccc12 |r,w:18.19| Show InChI InChI=1S/C24H29N3O2/c1-17(2)14-15-25-24(29)22(13-12-18-8-4-3-5-9-18)26-16-20-19-10-6-7-11-21(19)27-23(20)28/h3-11,16-17,20,22H,12-15H2,1-2H3,(H,25,29)(H,27,28)/t20?,22-/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)	BDBM50339254 ((Z/E)-(S)-N-isopentyl-2-((2-oxoindolin-3-ylidene)m...) Show SMILES CC(C)CCNC(=O)[C@H](CCc1ccccc1)N=CC1C(=O)Nc2ccccc12 |r,w:18.19| Show InChI InChI=1S/C24H29N3O2/c1-17(2)14-15-25-24(29)22(13-12-18-8-4-3-5-9-18)26-16-20-19-10-6-7-11-21(19)27-23(20)28/h3-11,16-17,20,22H,12-15H2,1-2H3,(H,25,29)(H,27,28)/t20?,22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.99E+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