BDBM50331574 2-chloro-N-(4-methyl-1-(1-methyl-1H-pyrazol-3-ylamino)-1,2-dioxopentan-3-yl)-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide::CHEMBL1289749

SMILES: CC(C)C(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1

InChI Key: InChIKey=RTCASLUORPXCNR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50331574   

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 K (Homo sapiens (Human))	BDBM50331574 (2-chloro-N-(4-methyl-1-(1-methyl-1H-pyrazol-3-ylam...) Show SMILES CC(C)C(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C24H23ClF3N5O4/c1-13(2)20(21(34)23(36)30-17-9-11-33(3)32-17)31-22(35)15-7-8-16(18(19(15)25)24(26,27)28)37-12-14-6-4-5-10-29-14/h4-11,13,20H,12H2,1-3H3,(H,31,35)(H,30,32,36)	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	11.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin K by fluorescence assay				Bioorg Med Chem Lett 20: 6890-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50331574 (2-chloro-N-(4-methyl-1-(1-methyl-1H-pyrazol-3-ylam...) Show SMILES CC(C)C(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C24H23ClF3N5O4/c1-13(2)20(21(34)23(36)30-17-9-11-33(3)32-17)31-22(35)15-7-8-16(18(19(15)25)24(26,27)28)37-12-14-6-4-5-10-29-14/h4-11,13,20H,12H2,1-3H3,(H,31,35)(H,30,32,36)	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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S by fluorescence assay				Bioorg Med Chem Lett 20: 6890-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0
					More data for this Ligand-Target Pair