null

SMILES: CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCCO)nc12

InChI Key: InChIKey=IGKKQXCKNSJVEA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50113745   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50113745 (3-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCCO)nc12 Show InChI InChI=1S/C17H21ClN6O/c1-11(2)24-10-20-14-15(21-13-6-3-5-12(18)9-13)22-17(23-16(14)24)19-7-4-8-25/h3,5-6,9-11,25H,4,7-8H2,1-2H3,(H2,19,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50113745 (3-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCCO)nc12 Show InChI InChI=1S/C17H21ClN6O/c1-11(2)24-10-20-14-15(21-13-6-3-5-12(18)9-13)22-17(23-16(14)24)19-7-4-8-25/h3,5-6,9-11,25H,4,7-8H2,1-2H3,(H2,19,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to cyclin-dependent kinase 1 (CDK1)				J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 33 (Homo sapiens (Human))	BDBM50113745 (3-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2...) Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCCO)nc12 Show InChI InChI=1S/C17H21ClN6O/c1-11(2)24-10-20-14-15(21-13-6-3-5-12(18)9-13)22-17(23-16(14)24)19-7-4-8-25/h3,5-6,9-11,25H,4,7-8H2,1-2H3,(H2,19,21,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.84E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2B27SRF
					More data for this Ligand-Target Pair