BDBM50347806 CHEMBL1802401

SMILES: Nc1nccc(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O

InChI Key: InChIKey=SYRGMMJIEWOFNF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50347806   

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 specificty protein kinase CLK1 (Homo sapiens (Human))	BDBM50347806 (CHEMBL1802401) Show SMILES Nc1nccc(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O Show InChI InChI=1S/C12H9N5O2/c13-12-14-5-4-9(16-12)8-6-15-11-7(8)2-1-3-10(11)17(18)19/h1-6,15H,(H2,13,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Clermont Universite£ Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate				J Med Chem 54: 4474-89 (2011) Article DOI: 10.1021/jm200464w BindingDB Entry DOI: 10.7270/Q2ZW1M8P
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50347806 (CHEMBL1802401) Show SMILES Nc1nccc(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O Show InChI InChI=1S/C12H9N5O2/c13-12-14-5-4-9(16-12)8-6-15-11-7(8)2-1-3-10(11)17(18)19/h1-6,15H,(H2,13,14,16)	PDB MMDB NCI pathway 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	9.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human His-tagged GSK3B recombinant in baculovirus expression system using Alexa-Fluor tracer-236 incubated for ...				Bioorg Med Chem Lett 27: 2617-2621 (2017) Article DOI: 10.1016/j.bmcl.2017.03.037 BindingDB Entry DOI: 10.7270/Q2SN0CFP
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50347806 (CHEMBL1802401) Show SMILES Nc1nccc(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O Show InChI InChI=1S/C12H9N5O2/c13-12-14-5-4-9(16-12)8-6-15-11-7(8)2-1-3-10(11)17(18)19/h1-6,15H,(H2,13,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Clermont Universite£ Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using Histone H1 and [gamma32]-ATP after 30 mins by scintillation counting				J Med Chem 54: 4474-89 (2011) Article DOI: 10.1021/jm200464w BindingDB Entry DOI: 10.7270/Q2ZW1M8P
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A (RAT)	BDBM50347806 (CHEMBL1802401) Show SMILES Nc1nccc(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O Show InChI InChI=1S/C12H9N5O2/c13-12-14-5-4-9(16-12)8-6-15-11-7(8)2-1-3-10(11)17(18)19/h1-6,15H,(H2,13,14,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Clermont Universite£ Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting				J Med Chem 54: 4474-89 (2011) Article DOI: 10.1021/jm200464w BindingDB Entry DOI: 10.7270/Q2ZW1M8P
					More data for this Ligand-Target Pair