BDBM50300783 9-(3-hydroxypropyl)-6-(3-(1-(phenylsulfonyl)-1H-indol-2-yl)benzylamino)-9H-purine-2-carbonitrile::CHEMBL574590

SMILES: OCCCn1cnc2c(NCc3cccc(c3)-c3cc4ccccc4n3S(=O)(=O)c3ccccc3)nc(nc12)C#N

InChI Key: InChIKey=ZEWQIKYLLVIMRU-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 = 50300783   

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))	BDBM50300783 (9-(3-hydroxypropyl)-6-(3-(1-(phenylsulfonyl)-1H-in...) Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3cc4ccccc4n3S(=O)(=O)c3ccccc3)nc(nc12)C#N Show InChI InChI=1S/C30H25N7O3S/c31-18-27-34-29(28-30(35-27)36(20-33-28)14-7-15-38)32-19-21-8-6-10-22(16-21)26-17-23-9-4-5-13-25(23)37(26)41(39,40)24-11-2-1-3-12-24/h1-6,8-13,16-17,20,38H,7,14-15,19H2,(H,32,34,35)	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)	BDBM50300783 (9-(3-hydroxypropyl)-6-(3-(1-(phenylsulfonyl)-1H-in...) Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3cc4ccccc4n3S(=O)(=O)c3ccccc3)nc(nc12)C#N Show InChI InChI=1S/C30H25N7O3S/c31-18-27-34-29(28-30(35-27)36(20-33-28)14-7-15-38)32-19-21-8-6-10-22(16-21)26-17-23-9-4-5-13-25(23)37(26)41(39,40)24-11-2-1-3-12-24/h1-6,8-13,16-17,20,38H,7,14-15,19H2,(H,32,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+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))	BDBM50300783 (9-(3-hydroxypropyl)-6-(3-(1-(phenylsulfonyl)-1H-in...) Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3cc4ccccc4n3S(=O)(=O)c3ccccc3)nc(nc12)C#N Show InChI InChI=1S/C30H25N7O3S/c31-18-27-34-29(28-30(35-27)36(20-33-28)14-7-15-38)32-19-21-8-6-10-22(16-21)26-17-23-9-4-5-13-25(23)37(26)41(39,40)24-11-2-1-3-12-24/h1-6,8-13,16-17,20,38H,7,14-15,19H2,(H,32,34,35)	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	1.80E+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