BDBM50233035 (S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanesulfonyl-biphenyl-4-yl)-ethylamino]-pentanoic acid (cyano-dimethyl-methyl)-amide::CHEMBL428417

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

InChI Key: InChIKey=MQLWDLYYNYALHH-VXKWHMMOSA-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 = 50233035   

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 S (Homo sapiens (Human))	BDBM50233035 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C)(C)C#N Show InChI InChI=1S/C25H30F3N3O3S/c1-16(2)14-21(23(32)31-24(3,4)15-29)30-22(25(26,27)28)19-8-6-17(7-9-19)18-10-12-20(13-11-18)35(5,33)34/h6-13,16,21-22,30H,14H2,1-5H3,(H,31,32)/t21-,22-/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	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of cathepsin S				Bioorg Med Chem Lett 18: 923-8 (2008) Article DOI: 10.1016/j.bmcl.2007.12.047 BindingDB Entry DOI: 10.7270/Q21J9BM2
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50233035 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C)(C)C#N Show InChI InChI=1S/C25H30F3N3O3S/c1-16(2)14-21(23(32)31-24(3,4)15-29)30-22(25(26,27)28)19-8-6-17(7-9-19)18-10-12-20(13-11-18)35(5,33)34/h6-13,16,21-22,30H,14H2,1-5H3,(H,31,32)/t21-,22-/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	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 18: 923-8 (2008) Article DOI: 10.1016/j.bmcl.2007.12.047 BindingDB Entry DOI: 10.7270/Q21J9BM2
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50233035 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C)(C)C#N Show InChI InChI=1S/C25H30F3N3O3S/c1-16(2)14-21(23(32)31-24(3,4)15-29)30-22(25(26,27)28)19-8-6-17(7-9-19)18-10-12-20(13-11-18)35(5,33)34/h6-13,16,21-22,30H,14H2,1-5H3,(H,31,32)/t21-,22-/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 Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of cathepsin B				Bioorg Med Chem Lett 18: 923-8 (2008) Article DOI: 10.1016/j.bmcl.2007.12.047 BindingDB Entry DOI: 10.7270/Q21J9BM2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50233035 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC(C)(C)C#N Show InChI InChI=1S/C25H30F3N3O3S/c1-16(2)14-21(23(32)31-24(3,4)15-29)30-22(25(26,27)28)19-8-6-17(7-9-19)18-10-12-20(13-11-18)35(5,33)34/h6-13,16,21-22,30H,14H2,1-5H3,(H,31,32)/t21-,22-/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 Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of cathepsin L				Bioorg Med Chem Lett 18: 923-8 (2008) Article DOI: 10.1016/j.bmcl.2007.12.047 BindingDB Entry DOI: 10.7270/Q21J9BM2
					More data for this Ligand-Target Pair