BDBM50268620 6-((3'-bromo-2'-isopropoxybiphenyl-3-yl)methylamino)-9-(3-hydroxypropyl)-9H-purine-2-carbonitrile::CHEMBL497620

SMILES: CC(C)Oc1c(Br)cccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1

InChI Key: InChIKey=YCSYUPWXKQVTEC-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 = 50268620   

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))	BDBM50268620 (6-((3'-bromo-2'-isopropoxybiphenyl-3-yl)methylamin...) Show SMILES CC(C)Oc1c(Br)cccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1 Show InChI InChI=1S/C25H25BrN6O2/c1-16(2)34-23-19(8-4-9-20(23)26)18-7-3-6-17(12-18)14-28-24-22-25(31-21(13-27)30-24)32(15-29-22)10-5-11-33/h3-4,6-9,12,15-16,33H,5,10-11,14H2,1-2H3,(H,28,30,31)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank 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 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
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50268620 (6-((3'-bromo-2'-isopropoxybiphenyl-3-yl)methylamin...) Show SMILES CC(C)Oc1c(Br)cccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1 Show InChI InChI=1S/C25H25BrN6O2/c1-16(2)34-23-19(8-4-9-20(23)26)18-7-3-6-17(12-18)14-28-24-22-25(31-21(13-27)30-24)32(15-29-22)10-5-11-33/h3-4,6-9,12,15-16,33H,5,10-11,14H2,1-2H3,(H,28,30,31)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	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
Procathepsin L (Homo sapiens (Human))	BDBM50268620 (6-((3'-bromo-2'-isopropoxybiphenyl-3-yl)methylamin...) Show SMILES CC(C)Oc1c(Br)cccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1 Show InChI InChI=1S/C25H25BrN6O2/c1-16(2)34-23-19(8-4-9-20(23)26)18-7-3-6-17(12-18)14-28-24-22-25(31-21(13-27)30-24)32(15-29-22)10-5-11-33/h3-4,6-9,12,15-16,33H,5,10-11,14H2,1-2H3,(H,28,30,31)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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