BDBM50331774 (S)-2-((S)-1-(4-(1H-pyrazol-4-yl)phenyl)-2,2,2-trifluoroethylamino)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methylpentanamide::CHEMBL1289764

SMILES: CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1cn[nH]c1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N

InChI Key: InChIKey=CGAOFGCVDRGRSC-VABKMULXSA-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 = 50331774   

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))	BDBM50331774 ((S)-2-((S)-1-(4-(1H-pyrazol-4-yl)phenyl)-2,2,2-tri...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1cn[nH]c1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C26H27F4N5O/c1-25(2,27)13-22(24(36)34-21(14-31)12-17-6-4-3-5-7-17)35-23(26(28,29)30)19-10-8-18(9-11-19)20-15-32-33-16-20/h3-11,15-16,21-23,35H,12-13H2,1-2H3,(H,32,33)(H,34,36)/t21-,22-,23-/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	24	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))	BDBM50331774 ((S)-2-((S)-1-(4-(1H-pyrazol-4-yl)phenyl)-2,2,2-tri...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1cn[nH]c1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C26H27F4N5O/c1-25(2,27)13-22(24(36)34-21(14-31)12-17-6-4-3-5-7-17)35-23(26(28,29)30)19-10-8-18(9-11-19)20-15-32-33-16-20/h3-11,15-16,21-23,35H,12-13H2,1-2H3,(H,32,33)(H,34,36)/t21-,22-,23-/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	59	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)	BDBM50331774 ((S)-2-((S)-1-(4-(1H-pyrazol-4-yl)phenyl)-2,2,2-tri...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1cn[nH]c1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C26H27F4N5O/c1-25(2,27)13-22(24(36)34-21(14-31)12-17-6-4-3-5-7-17)35-23(26(28,29)30)19-10-8-18(9-11-19)20-15-32-33-16-20/h3-11,15-16,21-23,35H,12-13H2,1-2H3,(H,32,33)(H,34,36)/t21-,22-,23-/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	33	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))	BDBM50331774 ((S)-2-((S)-1-(4-(1H-pyrazol-4-yl)phenyl)-2,2,2-tri...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1cn[nH]c1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C26H27F4N5O/c1-25(2,27)13-22(24(36)34-21(14-31)12-17-6-4-3-5-7-17)35-23(26(28,29)30)19-10-8-18(9-11-19)20-15-32-33-16-20/h3-11,15-16,21-23,35H,12-13H2,1-2H3,(H,32,33)(H,34,36)/t21-,22-,23-/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	379	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