BDBM50268554 6-(3-(furan-2-yl)benzylamino)-9-(3-hydroxypropyl)-9H-purine-2-carbonitrile::CHEMBL497235

SMILES: OCCCn1cnc2c(NCc3cccc(c3)-c3ccco3)nc(nc12)C#N

InChI Key: InChIKey=JZEFKJPYPCBZGF-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 = 50268554   

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
Procathepsin L (Homo sapiens (Human))	BDBM50268554 (6-(3-(furan-2-yl)benzylamino)-9-(3-hydroxypropyl)-...) Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccco3)nc(nc12)C#N Show InChI InChI=1S/C20H18N6O2/c21-11-17-24-19(18-20(25-17)26(13-23-18)7-3-8-27)22-12-14-4-1-5-15(10-14)16-6-2-9-28-16/h1-2,4-6,9-10,13,27H,3,7-8,12H2,(H,22,24,25)	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	840	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)	BDBM50268554 (6-(3-(furan-2-yl)benzylamino)-9-(3-hydroxypropyl)-...) Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccco3)nc(nc12)C#N Show InChI InChI=1S/C20H18N6O2/c21-11-17-24-19(18-20(25-17)26(13-23-18)7-3-8-27)22-12-14-4-1-5-15(10-14)16-6-2-9-28-16/h1-2,4-6,9-10,13,27H,3,7-8,12H2,(H,22,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	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
Cathepsin B (Homo sapiens (Human))	BDBM50268554 (6-(3-(furan-2-yl)benzylamino)-9-(3-hydroxypropyl)-...) Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccco3)nc(nc12)C#N Show InChI InChI=1S/C20H18N6O2/c21-11-17-24-19(18-20(25-17)26(13-23-18)7-3-8-27)22-12-14-4-1-5-15(10-14)16-6-2-9-28-16/h1-2,4-6,9-10,13,27H,3,7-8,12H2,(H,22,24,25)	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	4.70E+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 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