BDBM50233038 (S)-4,4-dichloro-N-(cyano-dicyclopropyl-methyl)-2-[(S)-2,2,2-trifluoro-1-(4'-methanesulfonyl-biphenyl-4-yl)-ethylamino]-butyramide::CHEMBL252582

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

InChI Key: InChIKey=SLXORIBUVHTOOX-UPVQGACJSA-N

Data: 3 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 3 hits for monomerid = 50233038   

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))	BDBM50233038 ((S)-4,4-dichloro-N-(cyano-dicyclopropyl-methyl)-2-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(Cl)Cl)C(=O)NC(C#N)(C1CC1)C1CC1)C(F)(F)F Show InChI InChI=1S/C27H28Cl2F3N3O3S/c1-39(37,38)21-12-6-17(7-13-21)16-2-4-18(5-3-16)24(27(30,31)32)34-22(14-23(28)29)25(36)35-26(15-33,19-8-9-19)20-10-11-20/h2-7,12-13,19-20,22-24,34H,8-11,14H2,1H3,(H,35,36)/t22-,24-/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	110	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
Cathepsin S (Homo sapiens (Human))	BDBM50233038 ((S)-4,4-dichloro-N-(cyano-dicyclopropyl-methyl)-2-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(Cl)Cl)C(=O)NC(C#N)(C1CC1)C1CC1)C(F)(F)F Show InChI InChI=1S/C27H28Cl2F3N3O3S/c1-39(37,38)21-12-6-17(7-13-21)16-2-4-18(5-3-16)24(27(30,31)32)34-22(14-23(28)29)25(36)35-26(15-33,19-8-9-19)20-10-11-20/h2-7,12-13,19-20,22-24,34H,8-11,14H2,1H3,(H,35,36)/t22-,24-/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	15	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 B (Homo sapiens (Human))	BDBM50233038 ((S)-4,4-dichloro-N-(cyano-dicyclopropyl-methyl)-2-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(Cl)Cl)C(=O)NC(C#N)(C1CC1)C1CC1)C(F)(F)F Show InChI InChI=1S/C27H28Cl2F3N3O3S/c1-39(37,38)21-12-6-17(7-13-21)16-2-4-18(5-3-16)24(27(30,31)32)34-22(14-23(28)29)25(36)35-26(15-33,19-8-9-19)20-10-11-20/h2-7,12-13,19-20,22-24,34H,8-11,14H2,1H3,(H,35,36)/t22-,24-/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	1.53E+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 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