SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 281.2
BDBM50406883

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 7 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50406883 (CHEMBL4177432) Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
University of Tours Curated by ChEMBL					Assay Description Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu...				Eur J Med Chem 154: 101-109 (2018) Article DOI: 10.1016/j.ejmech.2018.04.056 BindingDB Entry DOI: 10.7270/Q2HM5C0X
University of Tours Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50406883 (CHEMBL4177432) Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(O)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of Tours Curated by ChEMBL					Assay Description Inhibition of recombinant rat DYRK1A kinase domain (1 to 499 residues) expressed in bacterial expression system using KKISGRLSPIMTEQ as substrate aft...				Eur J Med Chem 154: 101-109 (2018) Article DOI: 10.1016/j.ejmech.2018.04.056 BindingDB Entry DOI: 10.7270/Q2HM5C0X
University of Tours Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50406883 (CHEMBL4177432) Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
University of Tours Curated by ChEMBL					Assay Description Inhibition of recombinant human haspin kinase domain (470 to 798 residues) expressed in bacterial expression system using histone H3 peptide as subst...				Eur J Med Chem 154: 101-109 (2018) Article DOI: 10.1016/j.ejmech.2018.04.056 BindingDB Entry DOI: 10.7270/Q2HM5C0X
University of Tours Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50406883 (CHEMBL4177432) Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(O)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
University of Tours Curated by ChEMBL					Assay Description Inhibition of human CDK2/CyclinA using histone H1 as substrate after 30 mins by ADP-Glo reagent based luminescence assay				Eur J Med Chem 154: 101-109 (2018) Article DOI: 10.1016/j.ejmech.2018.04.056 BindingDB Entry DOI: 10.7270/Q2HM5C0X
University of Tours Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50406883 (CHEMBL4177432) Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
University of Tours Curated by ChEMBL					Assay Description Inhibition of recombinant mouse CLK1 expressed in bacterial expression system using GRSRSRSRSRSR as substrate after 30 mins by ADP-Glo reagent based ...				Eur J Med Chem 154: 101-109 (2018) Article DOI: 10.1016/j.ejmech.2018.04.056 BindingDB Entry DOI: 10.7270/Q2HM5C0X
University of Tours Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50406883 (CHEMBL4177432) Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(O)c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	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
University of Tours Curated by ChEMBL					Assay Description Inhibition of porcine brain GSK-3alpha/beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate after 30 mins by ADP-Glo reagent based luminescence assay				Eur J Med Chem 154: 101-109 (2018) Article DOI: 10.1016/j.ejmech.2018.04.056 BindingDB Entry DOI: 10.7270/Q2HM5C0X
University of Tours Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50406883 (CHEMBL4177432) Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(O)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
University of Tours Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/CyclinT expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate after 30...				Eur J Med Chem 154: 101-109 (2018) Article DOI: 10.1016/j.ejmech.2018.04.056 BindingDB Entry DOI: 10.7270/Q2HM5C0X
University of Tours Curated by ChEMBL					More data for this Ligand-Target Pair