BDBM50331772 (S)-N-((S)-1-cyano-2-phenylethyl)-2-((S)-1-(4'-((R)-2,2-difluoro-1-hydroxyethyl)biphenyl-4-yl)-2,2,2-trifluoroethylamino)-4-fluoro-4-methylpentanamide::CHEMBL1288527

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

InChI Key: InChIKey=KNPHXKWUIHWCRM-NFGXINMFSA-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 = 50331772   

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))	BDBM50331772 ((S)-N-((S)-1-cyano-2-phenylethyl)-2-((S)-1-(4'-((R...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C31H31F6N3O2/c1-30(2,34)17-25(29(42)39-24(18-38)16-19-6-4-3-5-7-19)40-27(31(35,36)37)23-14-10-21(11-15-23)20-8-12-22(13-9-20)26(41)28(32)33/h3-15,24-28,40-41H,16-17H2,1-2H3,(H,39,42)/t24-,25-,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	64	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))	BDBM50331772 ((S)-N-((S)-1-cyano-2-phenylethyl)-2-((S)-1-(4'-((R...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C31H31F6N3O2/c1-30(2,34)17-25(29(42)39-24(18-38)16-19-6-4-3-5-7-19)40-27(31(35,36)37)23-14-10-21(11-15-23)20-8-12-22(13-9-20)26(41)28(32)33/h3-15,24-28,40-41H,16-17H2,1-2H3,(H,39,42)/t24-,25-,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	48	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)	BDBM50331772 ((S)-N-((S)-1-cyano-2-phenylethyl)-2-((S)-1-(4'-((R...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C31H31F6N3O2/c1-30(2,34)17-25(29(42)39-24(18-38)16-19-6-4-3-5-7-19)40-27(31(35,36)37)23-14-10-21(11-15-23)20-8-12-22(13-9-20)26(41)28(32)33/h3-15,24-28,40-41H,16-17H2,1-2H3,(H,39,42)/t24-,25-,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	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))	BDBM50331772 ((S)-N-((S)-1-cyano-2-phenylethyl)-2-((S)-1-(4'-((R...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C31H31F6N3O2/c1-30(2,34)17-25(29(42)39-24(18-38)16-19-6-4-3-5-7-19)40-27(31(35,36)37)23-14-10-21(11-15-23)20-8-12-22(13-9-20)26(41)28(32)33/h3-15,24-28,40-41H,16-17H2,1-2H3,(H,39,42)/t24-,25-,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	1.09E+3	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