BDBM50331784 (S)-N-((S)-1-cyano-3-phenylpropyl)-4-fluoro-4-methyl-2-((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)biphenyl-4-yl)ethylamino)pentanamide::CHEMBL1288521

SMILES: CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](CCc1ccccc1)C#N

InChI Key: InChIKey=OKEXQFAOCJQYST-MYKRZTLLSA-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 = 50331784   

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
Procathepsin L (Homo sapiens (Human))	BDBM50331784 ((S)-N-((S)-1-cyano-3-phenylpropyl)-4-fluoro-4-meth...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](CCc1ccccc1)C#N |r| Show InChI InChI=1S/C31H33F4N3O3S/c1-30(2,32)19-27(29(39)37-25(20-36)16-9-21-7-5-4-6-8-21)38-28(31(33,34)35)24-12-10-22(11-13-24)23-14-17-26(18-15-23)42(3,40)41/h4-8,10-15,17-18,25,27-28,38H,9,16,19H2,1-3H3,(H,37,39)/t25-,27-,28-/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	>1.00E+4	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
Cathepsin F (Homo sapiens (Human))	BDBM50331784 ((S)-N-((S)-1-cyano-3-phenylpropyl)-4-fluoro-4-meth...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](CCc1ccccc1)C#N |r| Show InChI InChI=1S/C31H33F4N3O3S/c1-30(2,32)19-27(29(39)37-25(20-36)16-9-21-7-5-4-6-8-21)38-28(31(33,34)35)24-12-10-22(11-13-24)23-14-17-26(18-15-23)42(3,40)41/h4-8,10-15,17-18,25,27-28,38H,9,16,19H2,1-3H3,(H,37,39)/t25-,27-,28-/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	3.24E+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 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))	BDBM50331784 ((S)-N-((S)-1-cyano-3-phenylpropyl)-4-fluoro-4-meth...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](CCc1ccccc1)C#N |r| Show InChI InChI=1S/C31H33F4N3O3S/c1-30(2,32)19-27(29(39)37-25(20-36)16-9-21-7-5-4-6-8-21)38-28(31(33,34)35)24-12-10-22(11-13-24)23-14-17-26(18-15-23)42(3,40)41/h4-8,10-15,17-18,25,27-28,38H,9,16,19H2,1-3H3,(H,37,39)/t25-,27-,28-/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	397	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)	BDBM50331784 ((S)-N-((S)-1-cyano-3-phenylpropyl)-4-fluoro-4-meth...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](CCc1ccccc1)C#N |r| Show InChI InChI=1S/C31H33F4N3O3S/c1-30(2,32)19-27(29(39)37-25(20-36)16-9-21-7-5-4-6-8-21)38-28(31(33,34)35)24-12-10-22(11-13-24)23-14-17-26(18-15-23)42(3,40)41/h4-8,10-15,17-18,25,27-28,38H,9,16,19H2,1-3H3,(H,37,39)/t25-,27-,28-/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	510	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