BDBM50268502 9-(3-hydroxypropyl)-6-((4'-vinylbiphenyl-3-yl)methylamino)-9H-purine-2-carbonitrile::CHEMBL497019

SMILES: OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(C=C)cc3)nc(nc12)C#N

InChI Key: InChIKey=ZNBRPMTXGJMBHD-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 = 50268502   

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))	BDBM50268502 (9-(3-hydroxypropyl)-6-((4'-vinylbiphenyl-3-yl)meth...) Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(C=C)cc3)nc(nc12)C#N Show InChI InChI=1S/C24H22N6O/c1-2-17-7-9-19(10-8-17)20-6-3-5-18(13-20)15-26-23-22-24(29-21(14-25)28-23)30(16-27-22)11-4-12-31/h2-3,5-10,13,16,31H,1,4,11-12,15H2,(H,26,28,29)	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	>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)	BDBM50268502 (9-(3-hydroxypropyl)-6-((4'-vinylbiphenyl-3-yl)meth...) Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(C=C)cc3)nc(nc12)C#N Show InChI InChI=1S/C24H22N6O/c1-2-17-7-9-19(10-8-17)20-6-3-5-18(13-20)15-26-23-22-24(29-21(14-25)28-23)30(16-27-22)11-4-12-31/h2-3,5-10,13,16,31H,1,4,11-12,15H2,(H,26,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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))	BDBM50268502 (9-(3-hydroxypropyl)-6-((4'-vinylbiphenyl-3-yl)meth...) Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccc(C=C)cc3)nc(nc12)C#N Show InChI InChI=1S/C24H22N6O/c1-2-17-7-9-19(10-8-17)20-6-3-5-18(13-20)15-26-23-22-24(29-21(14-25)28-23)30(16-27-22)11-4-12-31/h2-3,5-10,13,16,31H,1,4,11-12,15H2,(H,26,28,29)	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