BDBM50443926 CHEMBL3091805

SMILES: Clc1ccc(Nc2ncnc3c2oc2cc(cnc32)-c2ccc3OCOc3c2)cc1

InChI Key: InChIKey=QUIXAKZSDUMLNE-UHFFFAOYSA-N

Data: 3 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 = 50443926   

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
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50443926 (CHEMBL3091805) Show SMILES Clc1ccc(Nc2ncnc3c2oc2cc(cnc32)-c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C22H13ClN4O3/c23-14-2-4-15(5-3-14)27-22-21-20(25-10-26-22)19-18(30-21)8-13(9-24-19)12-1-6-16-17(7-12)29-11-28-16/h1-10H,11H2,(H,25,26,27)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6784-8 (2013) Article DOI: 10.1016/j.bmcl.2013.10.019 BindingDB Entry DOI: 10.7270/Q2MC91HJ
					More data for this Ligand-Target Pair
Dual specificty protein kinase CLK1 (Homo sapiens (Human))	BDBM50443926 (CHEMBL3091805) Show SMILES Clc1ccc(Nc2ncnc3c2oc2cc(cnc32)-c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C22H13ClN4O3/c23-14-2-4-15(5-3-14)27-22-21-20(25-10-26-22)19-18(30-21)8-13(9-24-19)12-1-6-16-17(7-12)29-11-28-16/h1-10H,11H2,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate				Bioorg Med Chem Lett 23: 6784-8 (2013) Article DOI: 10.1016/j.bmcl.2013.10.019 BindingDB Entry DOI: 10.7270/Q2MC91HJ
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A (RAT)	BDBM50443926 (CHEMBL3091805) Show SMILES Clc1ccc(Nc2ncnc3c2oc2cc(cnc32)-c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C22H13ClN4O3/c23-14-2-4-15(5-3-14)27-22-21-20(25-10-26-22)19-18(30-21)8-13(9-24-19)12-1-6-16-17(7-12)29-11-28-16/h1-10H,11H2,(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 30 mins by scintillation counti...				Bioorg Med Chem Lett 23: 6784-8 (2013) Article DOI: 10.1016/j.bmcl.2013.10.019 BindingDB Entry DOI: 10.7270/Q2MC91HJ
					More data for this Ligand-Target Pair