BDBM50502832 CHEMBL4579894

SMILES: CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N

InChI Key: InChIKey=VVENSUKHMNEUHS-SFTDATJTSA-N

Data: 3 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 3 hits for monomerid = 50502832   

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
Cruzipain (Trypanosoma cruzi)	BDBM50502832 (CHEMBL4579894) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H26F3N3O/c1-16(2)14-20(22(31)30-23(15-28)12-13-23)29-21(24(25,26)27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20-21,29H,12-14H2,1-2H3,(H,30,31)/t20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as inhibitor constant using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502832 (CHEMBL4579894) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H26F3N3O/c1-16(2)14-20(22(31)30-23(15-28)12-13-23)29-21(24(25,26)27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20-21,29H,12-14H2,1-2H3,(H,30,31)/t20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502832 (CHEMBL4579894) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H26F3N3O/c1-16(2)14-20(22(31)30-23(15-28)12-13-23)29-21(24(25,26)27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20-21,29H,12-14H2,1-2H3,(H,30,31)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083
					More data for this Ligand-Target Pair