SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 329.3
BDBM50239782

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

Found 12 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
Dual specificity protein kinase CLK4 (Mus musculus)	BDBM50239782 (CHEMBL4082113) Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged mouse CLK4 using GRSRSRSRSRSR as substrate after 30 mins in presence of [gamma-32P]-ATP by scintillation countin...				J Med Chem 60: 5377-5391 (2017) Article DOI: 10.1021/acs.jmedchem.6b01915 BindingDB Entry DOI: 10.7270/Q2862JMM
German University in Cairo Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50239782 (CHEMBL4082113) Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50239782 (CHEMBL4082113) Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged Clk1 expressed in Escherichia coli using RS repeat substrate peptide after 15 mins in presence of [gamma-3...				J Med Chem 60: 5377-5391 (2017) Article DOI: 10.1021/acs.jmedchem.6b01915 BindingDB Entry DOI: 10.7270/Q2862JMM
German University in Cairo Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50239782 (CHEMBL4082113) Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50239782 (CHEMBL4082113) Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Mus musculus)	BDBM50239782 (CHEMBL4082113) Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged mouse CLK2 using GRSRSRSRSRSR as substrate after 30 mins in presence of [gamma-32P]-ATP by scintillation countin...				J Med Chem 60: 5377-5391 (2017) Article DOI: 10.1021/acs.jmedchem.6b01915 BindingDB Entry DOI: 10.7270/Q2862JMM
German University in Cairo Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50239782 (CHEMBL4082113) Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Inhibition of full length recombinant GST-tagged human DYRK1B expressed in baculovirus using KKISGRLSPIMTEQ-NH2 as substrate after 15 mins				J Med Chem 60: 5377-5391 (2017) Article DOI: 10.1021/acs.jmedchem.6b01915 BindingDB Entry DOI: 10.7270/Q2862JMM
German University in Cairo Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50239782 (CHEMBL4082113) Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant human Dyrk1A expressed in Escherichia coli BL21 (DE3) using KKISGRLSPIMTEQ-NH2 as substrate after 15...				J Med Chem 60: 5377-5391 (2017) Article DOI: 10.1021/acs.jmedchem.6b01915 BindingDB Entry DOI: 10.7270/Q2862JMM
German University in Cairo Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4 (Homo sapiens (Human))	BDBM50239782 (CHEMBL4082113) Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Inhibition of CLK1/4 in human T24 cells assessed as down regulation of EGFR expression after 3 days by Western blot analysis				J Med Chem 60: 5377-5391 (2017) Article DOI: 10.1021/acs.jmedchem.6b01915 BindingDB Entry DOI: 10.7270/Q2862JMM
German University in Cairo Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4 (Homo sapiens (Human))	BDBM50239782 (CHEMBL4082113) Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Inhibition of CLK1/4 in human MDA-MB-231 cells assessed as down regulation of EGFR expression after 3 days by Western blot analysis				J Med Chem 60: 5377-5391 (2017) Article DOI: 10.1021/acs.jmedchem.6b01915 BindingDB Entry DOI: 10.7270/Q2862JMM
German University in Cairo Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4 (Homo sapiens (Human))	BDBM50239782 (CHEMBL4082113) Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Inhibition of CLK1/4 in human T24 cells assessed as down regulation of HDAC1 expression after 3 days by Western blot analysis				J Med Chem 60: 5377-5391 (2017) Article DOI: 10.1021/acs.jmedchem.6b01915 BindingDB Entry DOI: 10.7270/Q2862JMM
German University in Cairo Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4 (Homo sapiens (Human))	BDBM50239782 (CHEMBL4082113) Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
German University in Cairo Curated by ChEMBL					Assay Description Inhibition of CLK1/4 in human MDA-MB-231 cells assessed as down regulation of S6 kinase expression after 3 days by Western blot analysis				J Med Chem 60: 5377-5391 (2017) Article DOI: 10.1021/acs.jmedchem.6b01915 BindingDB Entry DOI: 10.7270/Q2862JMM
German University in Cairo Curated by ChEMBL					More data for this Ligand-Target Pair