BDBM50513160 CHEMBL4456644

SMILES: OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C

InChI Key: InChIKey=PERZYJOADGZMCX-AHTHUQNJSA-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 = 50513160   

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)	BDBM50513160 (CHEMBL4456644) Show SMILES OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:8| Show InChI InChI=1S/C44H66N6O6.C2HF3O2/c1-27(2)21-35(47-43(54)36(22-28(3)4)48-44(55)41(29(5)6)49(7)8)42(53)46-32(23-30-15-11-10-12-16-30)19-20-39(51)50-37(38(56-9)25-40(50)52)24-31-26-45-34-18-14-13-17-33(31)34;3-2(4,5)1(6)7/h13-14,17-20,25-30,32,35-37,41,45H,10-12,15-16,21-24H2,1-9H3,(H,46,53)(H,47,54)(H,48,55);(H,6,7)/b20-19+;/t32-,35+,36+,37+,41+;/m1./s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-terminal His-tagged falcipain-3 (33 residues) expressed in Escherichia coli M15 pREP4 using Z-Leu-Arg-AMC as su...				J Med Chem 62: 5562-5578 (2019) Article DOI: 10.1021/acs.jmedchem.9b00504
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50513160 (CHEMBL4456644) Show SMILES OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:8| Show InChI InChI=1S/C44H66N6O6.C2HF3O2/c1-27(2)21-35(47-43(54)36(22-28(3)4)48-44(55)41(29(5)6)49(7)8)42(53)46-32(23-30-15-11-10-12-16-30)19-20-39(51)50-37(38(56-9)25-40(50)52)24-31-26-45-34-18-14-13-17-33(31)34;3-2(4,5)1(6)7/h13-14,17-20,25-30,32,35-37,41,45H,10-12,15-16,21-24H2,1-9H3,(H,46,53)(H,47,54)(H,48,55);(H,6,7)/b20-19+;/t32-,35+,36+,37+,41+;/m1./s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum N-terminal His6-tagged falcipain-2 (35 residues) expressed in Escherichia coli M15 pREP4 using Z-Lue-Arg-AMC as s...				J Med Chem 62: 5562-5578 (2019) Article DOI: 10.1021/acs.jmedchem.9b00504
					More data for this Ligand-Target Pair