BDBM50331779 (S)-N-((S)-1-cyano-2-phenylethyl)-2-cyclopropyl-2-((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)biphenyl-4-yl)ethylamino)acetamide::CHEMBL1290303

SMILES: CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](C1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F

InChI Key: InChIKey=JLZPHDGPTVJCOI-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 = 50331779   

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))	BDBM50331779 ((S)-N-((S)-1-cyano-2-phenylethyl)-2-cyclopropyl-2-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](C1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C29H28F3N3O3S/c1-39(37,38)25-15-13-21(14-16-25)20-7-11-23(12-8-20)27(29(30,31)32)35-26(22-9-10-22)28(36)34-24(18-33)17-19-5-3-2-4-6-19/h2-8,11-16,22,24,26-27,35H,9-10,17H2,1H3,(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 Similars	Article PubMed	n/a	n/a	80	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))	BDBM50331779 ((S)-N-((S)-1-cyano-2-phenylethyl)-2-cyclopropyl-2-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](C1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C29H28F3N3O3S/c1-39(37,38)25-15-13-21(14-16-25)20-7-11-23(12-8-20)27(29(30,31)32)35-26(22-9-10-22)28(36)34-24(18-33)17-19-5-3-2-4-6-19/h2-8,11-16,22,24,26-27,35H,9-10,17H2,1H3,(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 Similars	Article PubMed	n/a	n/a	68	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)	BDBM50331779 ((S)-N-((S)-1-cyano-2-phenylethyl)-2-cyclopropyl-2-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](C1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C29H28F3N3O3S/c1-39(37,38)25-15-13-21(14-16-25)20-7-11-23(12-8-20)27(29(30,31)32)35-26(22-9-10-22)28(36)34-24(18-33)17-19-5-3-2-4-6-19/h2-8,11-16,22,24,26-27,35H,9-10,17H2,1H3,(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 Similars	Article PubMed	n/a	n/a	7	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))	BDBM50331779 ((S)-N-((S)-1-cyano-2-phenylethyl)-2-cyclopropyl-2-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](C1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C29H28F3N3O3S/c1-39(37,38)25-15-13-21(14-16-25)20-7-11-23(12-8-20)27(29(30,31)32)35-26(22-9-10-22)28(36)34-24(18-33)17-19-5-3-2-4-6-19/h2-8,11-16,22,24,26-27,35H,9-10,17H2,1H3,(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 Similars	Article PubMed	n/a	n/a	751	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