BDBM50312212 (5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2-[(2-aminoethyl)amino]-3,5-dihydro-4H-imidazol-4-onehydrochloride::CHEMBL1081243::CHEMBL1179821

SMILES: CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN

InChI Key: InChIKey=AHHFGEKSWVBFGA-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50312212   

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))	BDBM50312212 ((5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2...) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN |w:5.5,c:17| Show InChI InChI=1S/C14H16N4O3/c1-18-13(19)10(17-14(18)16-5-4-15)6-9-2-3-11-12(7-9)21-8-20-11/h2-3,6-7H,4-5,8,15H2,1H3,(H,16,17)	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+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CDK5/p25				Eur J Med Chem 45: 805-10 (2010) Article DOI: 10.1016/j.ejmech.2009.10.009 BindingDB Entry DOI: 10.7270/Q29023XH
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50312212 ((5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2...) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN |w:5.5,c:17| Show InChI InChI=1S/C14H16N4O3/c1-18-13(19)10(17-14(18)16-5-4-15)6-9-2-3-11-12(7-9)21-8-20-11/h2-3,6-7H,4-5,8,15H2,1H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Mus musculus)	BDBM50312212 ((5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2...) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN |w:5.5,c:17| Show InChI InChI=1S/C14H16N4O3/c1-18-13(19)10(17-14(18)16-5-4-15)6-9-2-3-11-12(7-9)21-8-20-11/h2-3,6-7H,4-5,8,15H2,1H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of mouse recombinant GST-tagged CLK3 using GRSRSRSRSRSR as substrate				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50312212 ((5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2...) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN |w:5.5,c:17| Show InChI InChI=1S/C14H16N4O3/c1-18-13(19)10(17-14(18)16-5-4-15)6-9-2-3-11-12(7-9)21-8-20-11/h2-3,6-7H,4-5,8,15H2,1H3,(H,16,17)	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	910	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A (RAT)	BDBM50312212 ((5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2...) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN |w:5.5,c:17| Show InChI InChI=1S/C14H16N4O3/c1-18-13(19)10(17-14(18)16-5-4-15)6-9-2-3-11-12(7-9)21-8-20-11/h2-3,6-7H,4-5,8,15H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-tagged DYRK1A using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2 (Homo sapiens (Human))	BDBM50312212 ((5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2...) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN |w:5.5,c:17| Show InChI InChI=1S/C14H16N4O3/c1-18-13(19)10(17-14(18)16-5-4-15)6-9-2-3-11-12(7-9)21-8-20-11/h2-3,6-7H,4-5,8,15H2,1H3,(H,16,17)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50312212 ((5Z)-5-[(1,3-benzodioxo-5-yl)methylene]-3-methyl-2...) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN |w:5.5,c:17| Show InChI InChI=1S/C14H16N4O3/c1-18-13(19)10(17-14(18)16-5-4-15)6-9-2-3-11-12(7-9)21-8-20-11/h2-3,6-7H,4-5,8,15H2,1H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human recombinant Pim1				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair