BDBM50347770 CHEMBL1802853

SMILES: CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCO

InChI Key: InChIKey=DXSGRMSWVFDIRT-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50347770   

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 protein kinase CLK1 (Mus musculus)	BDBM50347770 (CHEMBL1802853) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCO |w:5.5,c:17| Show InChI InChI=1S/C15H17N3O4/c1-18-14(20)11(17-15(18)16-5-2-6-19)7-10-3-4-12-13(8-10)22-9-21-12/h3-4,7-8,19H,2,5-6,9H2,1H3,(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	233	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)	BDBM50347770 (CHEMBL1802853) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCO |w:5.5,c:17| Show InChI InChI=1S/C15H17N3O4/c1-18-14(20)11(17-15(18)16-5-2-6-19)7-10-3-4-12-13(8-10)22-9-21-12/h3-4,7-8,19H,2,5-6,9H2,1H3,(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	3.90E+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))	BDBM50347770 (CHEMBL1802853) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCO |w:5.5,c:17| Show InChI InChI=1S/C15H17N3O4/c1-18-14(20)11(17-15(18)16-5-2-6-19)7-10-3-4-12-13(8-10)22-9-21-12/h3-4,7-8,19H,2,5-6,9H2,1H3,(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	4.50E+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 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)	BDBM50347770 (CHEMBL1802853) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCO |w:5.5,c:17| Show InChI InChI=1S/C15H17N3O4/c1-18-14(20)11(17-15(18)16-5-2-6-19)7-10-3-4-12-13(8-10)22-9-21-12/h3-4,7-8,19H,2,5-6,9H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	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))	BDBM50347770 (CHEMBL1802853) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCO |w:5.5,c:17| Show InChI InChI=1S/C15H17N3O4/c1-18-14(20)11(17-15(18)16-5-2-6-19)7-10-3-4-12-13(8-10)22-9-21-12/h3-4,7-8,19H,2,5-6,9H2,1H3,(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	470	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))	BDBM50347770 (CHEMBL1802853) Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCO |w:5.5,c:17| Show InChI InChI=1S/C15H17N3O4/c1-18-14(20)11(17-15(18)16-5-2-6-19)7-10-3-4-12-13(8-10)22-9-21-12/h3-4,7-8,19H,2,5-6,9H2,1H3,(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	6.50E+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