SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 249.3
BDBM50560703

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

Found 17 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 CLK1 (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length wild type CLK1 (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate additi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant CLK3 (unknown origin) using Ac-ERMRPRKRQGSVdP(Sox)G-NH2 as substrate after 5 mins by Omnia Kinase Assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to CLK1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to CLK2 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to CLK4 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to CLK3 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to PIM1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to PIM3 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair
Casein kinase I isoform gamma-2 (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to CSNK1G2 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair
Casein kinase I isoform gamma-3 (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to CSNK1G3 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to CSNK1D (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to CSNK1E (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 19 (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to MAP3K19 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CLK1 (H148 to I484 residues) (unknown origin) at 15 uM by isothermal titration calorimetry				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.78E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CLK3 (R134 to T484 residues) (unknown origin) at 15 uM by isothermal titration calorimetry				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DYRK1A (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50560703 (CHEMBL1349996) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to DYRK1B (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
TBA					More data for this Ligand-Target Pair