BDBM50331556 2-chloro-N-(4-(1-methyl-1H-pyrazol-3-ylamino)-3,4-dioxobutan-2-yl)-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide::CHEMBL1289644

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

InChI Key: InChIKey=AEACXIXTPAQTGN-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50331556   

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 B (Homo sapiens (Human))	BDBM50331556 (2-chloro-N-(4-(1-methyl-1H-pyrazol-3-ylamino)-3,4-...) Show SMILES CC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C22H19ClF3N5O4/c1-12(19(32)21(34)29-16-8-10-31(2)30-16)28-20(33)14-6-7-15(17(18(14)23)22(24,25)26)35-11-13-5-3-4-9-27-13/h3-10,12H,11H2,1-2H3,(H,28,33)(H,29,30,34)	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	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin B 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
Procathepsin L (Homo sapiens (Human))	BDBM50331556 (2-chloro-N-(4-(1-methyl-1H-pyrazol-3-ylamino)-3,4-...) Show SMILES CC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C22H19ClF3N5O4/c1-12(19(32)21(34)29-16-8-10-31(2)30-16)28-20(33)14-6-7-15(17(18(14)23)22(24,25)26)35-11-13-5-3-4-9-27-13/h3-10,12H,11H2,1-2H3,(H,28,33)(H,29,30,34)	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	479	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin L 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 K (Homo sapiens (Human))	BDBM50331556 (2-chloro-N-(4-(1-methyl-1H-pyrazol-3-ylamino)-3,4-...) Show SMILES CC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C22H19ClF3N5O4/c1-12(19(32)21(34)29-16-8-10-31(2)30-16)28-20(33)14-6-7-15(17(18(14)23)22(24,25)26)35-11-13-5-3-4-9-27-13/h3-10,12H,11H2,1-2H3,(H,28,33)(H,29,30,34)	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	12.9	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))	BDBM50331556 (2-chloro-N-(4-(1-methyl-1H-pyrazol-3-ylamino)-3,4-...) Show SMILES CC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C22H19ClF3N5O4/c1-12(19(32)21(34)29-16-8-10-31(2)30-16)28-20(33)14-6-7-15(17(18(14)23)22(24,25)26)35-11-13-5-3-4-9-27-13/h3-10,12H,11H2,1-2H3,(H,28,33)(H,29,30,34)	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	1	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
Cathepsin L2 (Homo sapiens (Human))	BDBM50331556 (2-chloro-N-(4-(1-methyl-1H-pyrazol-3-ylamino)-3,4-...) Show SMILES CC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C22H19ClF3N5O4/c1-12(19(32)21(34)29-16-8-10-31(2)30-16)28-20(33)14-6-7-15(17(18(14)23)22(24,25)26)35-11-13-5-3-4-9-27-13/h3-10,12H,11H2,1-2H3,(H,28,33)(H,29,30,34)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36.3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin V 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