BDBM50331778 (S)-N-((S)-1-cyano-2-phenylethyl)-3-methyl-2-((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)biphenyl-4-yl)ethylamino)butanamide::CHEMBL1290191

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

InChI Key: InChIKey=UPCGYFVYJJCJTE-URORMMCBSA-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 = 50331778   

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))	BDBM50331778 ((S)-N-((S)-1-cyano-2-phenylethyl)-3-methyl-2-((S)-...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C29H30F3N3O3S/c1-19(2)26(28(36)34-24(18-33)17-20-7-5-4-6-8-20)35-27(29(30,31)32)23-11-9-21(10-12-23)22-13-15-25(16-14-22)39(3,37)38/h4-16,19,24,26-27,35H,17H2,1-3H3,(H,34,36)/t24-,26-,27-/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	174	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))	BDBM50331778 ((S)-N-((S)-1-cyano-2-phenylethyl)-3-methyl-2-((S)-...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C29H30F3N3O3S/c1-19(2)26(28(36)34-24(18-33)17-20-7-5-4-6-8-20)35-27(29(30,31)32)23-11-9-21(10-12-23)22-13-15-25(16-14-22)39(3,37)38/h4-16,19,24,26-27,35H,17H2,1-3H3,(H,34,36)/t24-,26-,27-/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	433	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)	BDBM50331778 ((S)-N-((S)-1-cyano-2-phenylethyl)-3-methyl-2-((S)-...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C29H30F3N3O3S/c1-19(2)26(28(36)34-24(18-33)17-20-7-5-4-6-8-20)35-27(29(30,31)32)23-11-9-21(10-12-23)22-13-15-25(16-14-22)39(3,37)38/h4-16,19,24,26-27,35H,17H2,1-3H3,(H,34,36)/t24-,26-,27-/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	2	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))	BDBM50331778 ((S)-N-((S)-1-cyano-2-phenylethyl)-3-methyl-2-((S)-...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C29H30F3N3O3S/c1-19(2)26(28(36)34-24(18-33)17-20-7-5-4-6-8-20)35-27(29(30,31)32)23-11-9-21(10-12-23)22-13-15-25(16-14-22)39(3,37)38/h4-16,19,24,26-27,35H,17H2,1-3H3,(H,34,36)/t24-,26-,27-/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	631	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