BDBM50331773 (S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methyl-2-((S)-2,2,2-trifluoro-1-(4'-(pyridin-4-yl)biphenyl-4-yl)ethylamino)pentanamide::CHEMBL1288528

SMILES: CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N

InChI Key: InChIKey=BTPGQECHVMXBDU-CHQNGUEUSA-N

Data: 4 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 4 hits for monomerid = 50331773   

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
Cathepsin F (Homo sapiens (Human))	BDBM50331773 ((S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methy...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C34H32F4N4O/c1-33(2,35)21-30(32(43)41-29(22-39)20-23-6-4-3-5-7-23)42-31(34(36,37)38)28-14-12-25(13-15-28)24-8-10-26(11-9-24)27-16-18-40-19-17-27/h3-19,29-31,42H,20-21H2,1-2H3,(H,41,43)/t29-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat F expressed in rabbit HIG82 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50331773 ((S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methy...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C34H32F4N4O/c1-33(2,35)21-30(32(43)41-29(22-39)20-23-6-4-3-5-7-23)42-31(34(36,37)38)28-14-12-25(13-15-28)24-8-10-26(11-9-24)27-16-18-40-19-17-27/h3-19,29-31,42H,20-21H2,1-2H3,(H,41,43)/t29-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat B in HepG2 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331773 ((S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methy...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C34H32F4N4O/c1-33(2,35)21-30(32(43)41-29(22-39)20-23-6-4-3-5-7-23)42-31(34(36,37)38)28-14-12-25(13-15-28)24-8-10-26(11-9-24)27-16-18-40-19-17-27/h3-19,29-31,42H,20-21H2,1-2H3,(H,41,43)/t29-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50331773 ((S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methy...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C34H32F4N4O/c1-33(2,35)21-30(32(43)41-29(22-39)20-23-6-4-3-5-7-23)42-31(34(36,37)38)28-14-12-25(13-15-28)24-8-10-26(11-9-24)27-16-18-40-19-17-27/h3-19,29-31,42H,20-21H2,1-2H3,(H,41,43)/t29-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	436	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat L				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair