BDBM50513155 CHEMBL4434685

SMILES: OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1

InChI Key: InChIKey=CUDOUGZRQSIIQG-NFHHAOIFSA-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 = 50513155   

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)	BDBM50513155 (CHEMBL4434685) Show SMILES OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:8| Show InChI InChI=1S/C38H54N6O6.C2HF3O2/c1-23(2)18-30(42-38(49)31(19-24(3)4)41-36(47)26-14-16-43(6)17-15-26)37(48)40-25(5)12-13-34(45)44-32(33(50-7)21-35(44)46)20-27-22-39-29-11-9-8-10-28(27)29;3-2(4,5)1(6)7/h8-13,21-26,30-32,39H,14-20H2,1-7H3,(H,40,48)(H,41,47)(H,42,49);(H,6,7)/b13-12+;/t25-,30-,31-,32-;/m0./s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	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
Cysteine protease falcipain-3 (Plasmodium falciparum)	BDBM50513155 (CHEMBL4434685) Show SMILES OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:8| Show InChI InChI=1S/C38H54N6O6.C2HF3O2/c1-23(2)18-30(42-38(49)31(19-24(3)4)41-36(47)26-14-16-43(6)17-15-26)37(48)40-25(5)12-13-34(45)44-32(33(50-7)21-35(44)46)20-27-22-39-29-11-9-8-10-28(27)29;3-2(4,5)1(6)7/h8-13,21-26,30-32,39H,14-20H2,1-7H3,(H,40,48)(H,41,47)(H,42,49);(H,6,7)/b13-12+;/t25-,30-,31-,32-;/m0./s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	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