BDBM50502847 CHEMBL4544254

SMILES: FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccccc1

InChI Key: InChIKey=SDMFBTDIGSJXGD-ROUUACIJSA-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 4 hits for monomerid = 50502847   

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)	BDBM50502847 (CHEMBL4544254) Show SMILES FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C21H20F3N3O/c22-21(23,24)18(16-9-5-2-6-10-16)26-17(13-15-7-3-1-4-8-15)19(28)27-20(14-25)11-12-20/h1-10,17-18,26H,11-13H2,(H,27,28)/t17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	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
Cathepsin B (Homo sapiens (Human))	BDBM50502847 (CHEMBL4544254) Show SMILES FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C21H20F3N3O/c22-21(23,24)18(16-9-5-2-6-10-16)26-17(13-15-7-3-1-4-8-15)19(28)27-20(14-25)11-12-20/h1-10,17-18,26H,11-13H2,(H,27,28)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502847 (CHEMBL4544254) Show SMILES FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C21H20F3N3O/c22-21(23,24)18(16-9-5-2-6-10-16)26-17(13-15-7-3-1-4-8-15)19(28)27-20(14-25)11-12-20/h1-10,17-18,26H,11-13H2,(H,27,28)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	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
Cruzipain (Trypanosoma cruzi)	BDBM50502847 (CHEMBL4544254) Show SMILES FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C21H20F3N3O/c22-21(23,24)18(16-9-5-2-6-10-16)26-17(13-15-7-3-1-4-8-15)19(28)27-20(14-25)11-12-20/h1-10,17-18,26H,11-13H2,(H,27,28)/t17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	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