BDBM50468723 CHEMBL4279824

SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCCc1ccccc1)C(O)=O

InChI Key: InChIKey=CARLLIZNSAROSL-ZFPSRXBFSA-N

Data: 2 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 2 hits for monomerid = 50468723   

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
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50468723 (CHEMBL4279824) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C28H39N3O8/c1-17(2)16-19(29-27(37)39-28(3,4)5)23(32)30-14-9-12-20(30)24(33)31-21(25(34)35)22(31)26(36)38-15-13-18-10-7-6-8-11-18/h6-8,10-11,17,19-22H,9,12-16H2,1-5H3,(H,29,37)(H,34,35)/t19-,20+,21?,22?,31?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Z-Phe-Arg-AMC as substrate by fluorometric assay				Eur J Med Chem 156: 587-597 (2018) Article DOI: 10.1016/j.ejmech.2018.07.012 BindingDB Entry DOI: 10.7270/Q2CN76MS
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50468723 (CHEMBL4279824) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C28H39N3O8/c1-17(2)16-19(29-27(37)39-28(3,4)5)23(32)30-14-9-12-20(30)24(33)31-21(25(34)35)22(31)26(36)38-15-13-18-10-7-6-8-11-18/h6-8,10-11,17,19-22H,9,12-16H2,1-5H3,(H,29,37)(H,34,35)/t19-,20+,21?,22?,31?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain 2 using Z-Phe-Arg-AMC as substrate by fluorometric assay				Eur J Med Chem 156: 587-597 (2018) Article DOI: 10.1016/j.ejmech.2018.07.012 BindingDB Entry DOI: 10.7270/Q2CN76MS
					More data for this Ligand-Target Pair