BDBM228657 GSK3-XIII

SMILES: Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)n[nH]1

InChI Key: InChIKey=JYCUVOXSZBECAY-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 228657   

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
Leucine-rich repeat kinase 2 (LRRK2 t-WT) (Homo sapiens (Human))	BDBM228657 (GSK3-XIII) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)n[nH]1 Show InChI InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)	PDB GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.4	25
Harvard NeuroDiscovery Center					Assay Description The kinase assays for phosphorylation of LRRKtide (RLGRDKYKTLRQIRQ) or LRRKtideS (RLGRDKYKSLRQIRQ) were conducted in buffer containing 20 mM HEPES (p...				J Biol Chem 289: 13042-53 (2014) Article DOI: 10.1074/jbc.M113.537811 BindingDB Entry DOI: 10.7270/Q28S4NT5
					More data for this Ligand-Target Pair
Leucine-rich repeat kinase 2 (LRRK2 t-WT) (Homo sapiens (Human))	BDBM228657 (GSK3-XIII) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)n[nH]1 Show InChI InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)	PDB GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.4	25
Harvard NeuroDiscovery Center					Assay Description The kinase assays for phosphorylation of LRRKtide (RLGRDKYKTLRQIRQ) or LRRKtideS (RLGRDKYKSLRQIRQ) were conducted in buffer containing 20 mM HEPES (p...				J Biol Chem 289: 13042-53 (2014) Article DOI: 10.1074/jbc.M113.537811 BindingDB Entry DOI: 10.7270/Q28S4NT5
					More data for this Ligand-Target Pair