BDBM50268670 9-(3-hydroxypropyl)-6-((2'-methylbiphenyl-3-yl)methylamino)-9H-purine-2-carbonitrile::CHEMBL521904

SMILES: Cc1ccccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1

InChI Key: InChIKey=OYZUGEDAXUYEJV-UHFFFAOYSA-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 = 50268670   

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))	BDBM50268670 (9-(3-hydroxypropyl)-6-((2'-methylbiphenyl-3-yl)met...) Show SMILES Cc1ccccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1 Show InChI InChI=1S/C23H22N6O/c1-16-6-2-3-9-19(16)18-8-4-7-17(12-18)14-25-22-21-23(28-20(13-24)27-22)29(15-26-21)10-5-11-30/h2-4,6-9,12,15,30H,5,10-11,14H2,1H3,(H,25,27,28)	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	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 52: 6489-93 (2009) Article DOI: 10.1021/jm900908p BindingDB Entry DOI: 10.7270/Q2K074BP
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50268670 (9-(3-hydroxypropyl)-6-((2'-methylbiphenyl-3-yl)met...) Show SMILES Cc1ccccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1 Show InChI InChI=1S/C23H22N6O/c1-16-6-2-3-9-19(16)18-8-4-7-17(12-18)14-25-22-21-23(28-20(13-24)27-22)29(15-26-21)10-5-11-30/h2-4,6-9,12,15,30H,5,10-11,14H2,1H3,(H,25,27,28)	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin L				J Med Chem 52: 6489-93 (2009) Article DOI: 10.1021/jm900908p BindingDB Entry DOI: 10.7270/Q2K074BP
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50268670 (9-(3-hydroxypropyl)-6-((2'-methylbiphenyl-3-yl)met...) Show SMILES Cc1ccccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1 Show InChI InChI=1S/C23H22N6O/c1-16-6-2-3-9-19(16)18-8-4-7-17(12-18)14-25-22-21-23(28-20(13-24)27-22)29(15-26-21)10-5-11-30/h2-4,6-9,12,15,30H,5,10-11,14H2,1H3,(H,25,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain				J Med Chem 52: 6489-93 (2009) Article DOI: 10.1021/jm900908p BindingDB Entry DOI: 10.7270/Q2K074BP
					More data for this Ligand-Target Pair