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SMILES: CC(C)n1cnc2c(Nc3ccc(cc3)-c3cncnc3)nc(Cl)nc12

InChI Key: InChIKey=ZUVCFDIRJGFVPT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50488802   

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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50488802 (CHEMBL2295951) Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)-c3cncnc3)nc(Cl)nc12 Show InChI InChI=1S/C18H16ClN7/c1-11(2)26-10-22-15-16(24-18(19)25-17(15)26)23-14-5-3-12(4-6-14)13-7-20-9-21-8-13/h3-11H,1-2H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Homo sapiens (human) recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ and [gamma33P]ATP as substrate af...				Citation and Details Article DOI: 10.1007/s00044-012-0334-1 BindingDB Entry DOI: 10.7270/Q2ZP490F
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50488802 (CHEMBL2295951) Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)-c3cncnc3)nc(Cl)nc12 Show InChI InChI=1S/C18H16ClN7/c1-11(2)26-10-22-15-16(24-18(19)25-17(15)26)23-14-5-3-12(4-6-14)13-7-20-9-21-8-13/h3-11H,1-2H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CDK2/cyclin A using histone H1 and [gamma33P]ATP as substrate after 30 min by scintillation counting				Citation and Details Article DOI: 10.1007/s00044-012-0334-1 BindingDB Entry DOI: 10.7270/Q2ZP490F
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50488802 (CHEMBL2295951) Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)-c3cncnc3)nc(Cl)nc12 Show InChI InChI=1S/C18H16ClN7/c1-11(2)26-10-22-15-16(24-18(19)25-17(15)26)23-14-5-3-12(4-6-14)13-7-20-9-21-8-13/h3-11H,1-2H3,(H,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Sus scrofa (pig) glycogen synthase kinase 3alpha/beta isolated from brain using YRRAAVPPSPSLSRHSSPHQpSEDEEE and [gamma33P]ATP as substr...				Citation and Details Article DOI: 10.1007/s00044-012-0334-1 BindingDB Entry DOI: 10.7270/Q2ZP490F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50488802 (CHEMBL2295951) Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)-c3cncnc3)nc(Cl)nc12 Show InChI InChI=1S/C18H16ClN7/c1-11(2)26-10-22-15-16(24-18(19)25-17(15)26)23-14-5-3-12(4-6-14)13-7-20-9-21-8-13/h3-11H,1-2H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 and [gamma33P]ATP as substrate after 30 min by scintillation counting				Citation and Details Article DOI: 10.1007/s00044-012-0334-1 BindingDB Entry DOI: 10.7270/Q2ZP490F
					More data for this Ligand-Target Pair
Casein kinase 1, delta tv1 (Sus scrofa)	BDBM50488802 (CHEMBL2295951) Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)-c3cncnc3)nc(Cl)nc12 Show InChI InChI=1S/C18H16ClN7/c1-11(2)26-10-22-15-16(24-18(19)25-17(15)26)23-14-5-3-12(4-6-14)13-7-20-9-21-8-13/h3-11H,1-2H3,(H,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Sus scrofa (pig) casein kinase 1delta/epsilon isolated from brain using RRKHAAIGpSAYSITA and [gamma33P]ATP as substrate after 30 min by...				Citation and Details Article DOI: 10.1007/s00044-012-0334-1 BindingDB Entry DOI: 10.7270/Q2ZP490F
					More data for this Ligand-Target Pair