BDBM50300779 9-(3-hydroxypropyl)-6-((2'-isopropylbiphenyl-3-yl)methylamino)-9H-purine-2-carbonitrile::CHEMBL569883

SMILES: CC(C)c1ccccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1

InChI Key: InChIKey=ICUVCOAXOLUVPJ-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 = 50300779   

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
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50300779 (9-(3-hydroxypropyl)-6-((2'-isopropylbiphenyl-3-yl)...) Show SMILES CC(C)c1ccccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1 Show InChI InChI=1S/C25H26N6O/c1-17(2)20-9-3-4-10-21(20)19-8-5-7-18(13-19)15-27-24-23-25(30-22(14-26)29-24)31(16-28-23)11-6-12-32/h3-5,7-10,13,16-17,32H,6,11-12,15H2,1-2H3,(H,27,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD 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 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))	BDBM50300779 (9-(3-hydroxypropyl)-6-((2'-isopropylbiphenyl-3-yl)...) Show SMILES CC(C)c1ccccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1 Show InChI InChI=1S/C25H26N6O/c1-17(2)20-9-3-4-10-21(20)19-8-5-7-18(13-19)15-27-24-23-25(30-22(14-26)29-24)31(16-28-23)11-6-12-32/h3-5,7-10,13,16-17,32H,6,11-12,15H2,1-2H3,(H,27,29,30)	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	900	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
Cathepsin B (Homo sapiens (Human))	BDBM50300779 (9-(3-hydroxypropyl)-6-((2'-isopropylbiphenyl-3-yl)...) Show SMILES CC(C)c1ccccc1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1 Show InChI InChI=1S/C25H26N6O/c1-17(2)20-9-3-4-10-21(20)19-8-5-7-18(13-19)15-27-24-23-25(30-22(14-26)29-24)31(16-28-23)11-6-12-32/h3-5,7-10,13,16-17,32H,6,11-12,15H2,1-2H3,(H,27,29,30)	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