BDBM50113674 4-Methoxy-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethylcarbamoyl]-3-methyl-butyl}-benzamide::4-Methoxy-N-{1-[2-(4-methoxy-phenylamino)-ethylcarbamoyl]-3-methyl-butyl}-benzamide::CHEMBL59605

SMILES: COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OC)cc2)cc1

InChI Key: InChIKey=DUYXXIKSTBHSGJ-NRFANRHFSA-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 = 50113674   

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))	BDBM50113674 (4-Methoxy-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethy...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C23H31N3O4/c1-16(2)15-21(26-22(27)17-5-9-19(29-3)10-6-17)23(28)25-14-13-24-18-7-11-20(30-4)12-8-18/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant rabbit Cathepsin K in a fluorescence assay				J Med Chem 45: 2352-4 (2002) BindingDB Entry DOI: 10.7270/Q2DV1J73
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50113674 (4-Methoxy-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethy...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C23H31N3O4/c1-16(2)15-21(26-22(27)17-5-9-19(29-3)10-6-17)23(28)25-14-13-24-18-7-11-20(30-4)12-8-18/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin L activity				Bioorg Med Chem Lett 13: 1997-2001 (2003) BindingDB Entry DOI: 10.7270/Q2VD6XTQ
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50113674 (4-Methoxy-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethy...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C23H31N3O4/c1-16(2)15-21(26-22(27)17-5-9-19(29-3)10-6-17)23(28)25-14-13-24-18-7-11-20(30-4)12-8-18/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin S activity				Bioorg Med Chem Lett 13: 1997-2001 (2003) BindingDB Entry DOI: 10.7270/Q2VD6XTQ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50113674 (4-Methoxy-N-{(S)-1-[2-(4-methoxy-phenylamino)-ethy...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C23H31N3O4/c1-16(2)15-21(26-22(27)17-5-9-19(29-3)10-6-17)23(28)25-14-13-24-18-7-11-20(30-4)12-8-18/h5-12,16,21,24H,13-15H2,1-4H3,(H,25,28)(H,26,27)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human cathepsin K activity using fluorescence assay				Bioorg Med Chem Lett 13: 1997-2001 (2003) BindingDB Entry DOI: 10.7270/Q2VD6XTQ
					More data for this Ligand-Target Pair