BDBM50258404 6-((3',5'-dichlorobiphenyl-3-yl)methylamino)-9-(3-hydroxypropyl)-9H-purine-2-carbonitrile::CHEMBL495016

SMILES: OCCCn1cnc2c(NCc3cccc(c3)-c3cc(Cl)cc(Cl)c3)nc(nc12)C#N

InChI Key: InChIKey=BABOXQWWOWUXJX-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 = 50258404   

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))	BDBM50258404 (6-((3',5'-dichlorobiphenyl-3-yl)methylamino)-9-(3-...) Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3cc(Cl)cc(Cl)c3)nc(nc12)C#N Show InChI InChI=1S/C22H18Cl2N6O/c23-17-8-16(9-18(24)10-17)15-4-1-3-14(7-15)12-26-21-20-22(29-19(11-25)28-21)30(13-27-20)5-2-6-31/h1,3-4,7-10,13,31H,2,5-6,12H2,(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)	BDBM50258404 (6-((3',5'-dichlorobiphenyl-3-yl)methylamino)-9-(3-...) Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3cc(Cl)cc(Cl)c3)nc(nc12)C#N Show InChI InChI=1S/C22H18Cl2N6O/c23-17-8-16(9-18(24)10-17)15-4-1-3-14(7-15)12-26-21-20-22(29-19(11-25)28-21)30(13-27-20)5-2-6-31/h1,3-4,7-10,13,31H,2,5-6,12H2,(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	1.10E+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))	BDBM50258404 (6-((3',5'-dichlorobiphenyl-3-yl)methylamino)-9-(3-...) Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3cc(Cl)cc(Cl)c3)nc(nc12)C#N Show InChI InChI=1S/C22H18Cl2N6O/c23-17-8-16(9-18(24)10-17)15-4-1-3-14(7-15)12-26-21-20-22(29-19(11-25)28-21)30(13-27-20)5-2-6-31/h1,3-4,7-10,13,31H,2,5-6,12H2,(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	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