BDBM50300773 6-(3-(1H-indol-6-yl)benzylamino)-9-(3-hydroxypropyl)-9H-purine-2-carbonitrile::CHEMBL584314

SMILES: OCCCn1cnc2c(NCc3cccc(c3)-c3ccc4cc[nH]c4c3)nc(nc12)C#N

InChI Key: InChIKey=BFJRLYQUSWBFAL-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 = 50300773   

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)	BDBM50300773 (6-(3-(1H-indol-6-yl)benzylamino)-9-(3-hydroxypropy...) Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccc4cc[nH]c4c3)nc(nc12)C#N Show InChI InChI=1S/C24H21N7O/c25-13-21-29-23(22-24(30-21)31(15-28-22)9-2-10-32)27-14-16-3-1-4-18(11-16)19-6-5-17-7-8-26-20(17)12-19/h1,3-8,11-12,15,26,32H,2,9-10,14H2,(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	260	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))	BDBM50300773 (6-(3-(1H-indol-6-yl)benzylamino)-9-(3-hydroxypropy...) Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccc4cc[nH]c4c3)nc(nc12)C#N Show InChI InChI=1S/C24H21N7O/c25-13-21-29-23(22-24(30-21)31(15-28-22)9-2-10-32)27-14-16-3-1-4-18(11-16)19-6-5-17-7-8-26-20(17)12-19/h1,3-8,11-12,15,26,32H,2,9-10,14H2,(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	1.30E+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
Procathepsin L (Homo sapiens (Human))	BDBM50300773 (6-(3-(1H-indol-6-yl)benzylamino)-9-(3-hydroxypropy...) Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3ccc4cc[nH]c4c3)nc(nc12)C#N Show InChI InChI=1S/C24H21N7O/c25-13-21-29-23(22-24(30-21)31(15-28-22)9-2-10-32)27-14-16-3-1-4-18(11-16)19-6-5-17-7-8-26-20(17)12-19/h1,3-8,11-12,15,26,32H,2,9-10,14H2,(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	460	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