BDBM50246164 CHEMBL487242::N3-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N6-phenyl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

SMILES: COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc12

InChI Key: InChIKey=KAFUZFJSHOPUIZ-UHFFFAOYSA-N

Data: 2 KI  1 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 = 50246164   

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
Tyrosine kinase non-receptor protein 2 (Homo sapiens (Human))	BDBM50246164 (CHEMBL487242 | N3-(2,6-dimethylphenyl)-1-(3-methox...) Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C25H30N6O/c1-17-10-9-11-18(2)21(17)28-22-20-16-26-24(27-19-12-7-6-8-13-19)29-23(20)31(30-22)15-14-25(3,4)32-5/h6-13,16H,14-15H2,1-5H3,(H,28,30)(H,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells				Bioorg Med Chem Lett 18: 6352-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.092 BindingDB Entry DOI: 10.7270/Q2B56JKZ
					More data for this Ligand-Target Pair
Tyrosine kinase non-receptor protein 2 (Homo sapiens (Human))	BDBM50246164 (CHEMBL487242 | N3-(2,6-dimethylphenyl)-1-(3-methox...) Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C25H30N6O/c1-17-10-9-11-18(2)21(17)28-22-20-16-26-24(27-19-12-7-6-8-13-19)29-23(20)31(30-22)15-14-25(3,4)32-5/h6-13,16H,14-15H2,1-5H3,(H,28,30)(H,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells				Bioorg Med Chem Lett 18: 6352-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.092 BindingDB Entry DOI: 10.7270/Q2B56JKZ
					More data for this Ligand-Target Pair
Tyrosine kinase non-receptor protein 2 (Homo sapiens (Human))	BDBM50246164 (CHEMBL487242 | N3-(2,6-dimethylphenyl)-1-(3-methox...) Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C25H30N6O/c1-17-10-9-11-18(2)21(17)28-22-20-16-26-24(27-19-12-7-6-8-13-19)29-23(20)31(30-22)15-14-25(3,4)32-5/h6-13,16H,14-15H2,1-5H3,(H,28,30)(H,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Inhibition of ACK1 kinase (unknown origin)				J Med Chem 58: 2746-63 (2015) Article DOI: 10.1021/jm501929n BindingDB Entry DOI: 10.7270/Q2H996XC
					More data for this Ligand-Target Pair