BDBM50463233 CHEMBL4237987

SMILES: COc1ccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)cc1

InChI Key: InChIKey=OCHLSZQVIBICKF-UHFFFAOYSA-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 = 50463233   

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))	BDBM50463233 (CHEMBL4237987) Show SMILES COc1ccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)cc1 Show InChI InChI=1S/C16H19N7O/c1-24-13-4-2-11(3-5-13)19-15-21-14(10-17)22-16(23-15)20-12-6-8-18-9-7-12/h2-5,12,18H,6-9H2,1H3,(H2,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectrofluorimetric method				Bioorg Med Chem 26: 4310-4319 (2018) Article DOI: 10.1016/j.bmc.2018.07.032 BindingDB Entry DOI: 10.7270/Q2P271RF
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50463233 (CHEMBL4237987) Show SMILES COc1ccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)cc1 Show InChI InChI=1S/C16H19N7O/c1-24-13-4-2-11(3-5-13)19-15-21-14(10-17)22-16(23-15)20-12-6-8-18-9-7-12/h2-5,12,18H,6-9H2,1H3,(H2,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by spectrofluorimetric method				Bioorg Med Chem 26: 4310-4319 (2018) Article DOI: 10.1016/j.bmc.2018.07.032 BindingDB Entry DOI: 10.7270/Q2P271RF
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50463233 (CHEMBL4237987) Show SMILES COc1ccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)cc1 Show InChI InChI=1S/C16H19N7O/c1-24-13-4-2-11(3-5-13)19-15-21-14(10-17)22-16(23-15)20-12-6-8-18-9-7-12/h2-5,12,18H,6-9H2,1H3,(H2,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human cathepsin B using Z-Phe-Arg-AMC as substrate after 30 mins by spectrofluorimetric method				Bioorg Med Chem 26: 4310-4319 (2018) Article DOI: 10.1016/j.bmc.2018.07.032 BindingDB Entry DOI: 10.7270/Q2P271RF
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50463233 (CHEMBL4237987) Show SMILES COc1ccc(Nc2nc(NC3CCNCC3)nc(n2)C#N)cc1 Show InChI InChI=1S/C16H19N7O/c1-24-13-4-2-11(3-5-13)19-15-21-14(10-17)22-16(23-15)20-12-6-8-18-9-7-12/h2-5,12,18H,6-9H2,1H3,(H2,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human cathepsin K using Z-Phe-Arg-AMC as substrate after 30 mins by spectrofluorimetric method				Bioorg Med Chem 26: 4310-4319 (2018) Article DOI: 10.1016/j.bmc.2018.07.032 BindingDB Entry DOI: 10.7270/Q2P271RF
					More data for this Ligand-Target Pair