Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50012825   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	140	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
					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
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	2.69E+4	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50560704 (CHEMBL4754195) Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CLK1 by radiometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50560704 (CHEMBL4754195) Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CLK4 by radiometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50560704 (CHEMBL4754195) Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CLK2 by radiometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
					More data for this Ligand-Target Pair
Homeodomain-interacting protein kinase 2 (Homo sapiens (Human))	BDBM50560704 (CHEMBL4754195) Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HIPK2 by radiometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
					More data for this Ligand-Target Pair
Homeodomain-interacting protein kinase 3 (Homo sapiens (Human))	BDBM50560704 (CHEMBL4754195) Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HIPK3 by radiometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
					More data for this Ligand-Target Pair
Homeodomain-interacting protein kinase 1 (Homo sapiens (Human))	BDBM50560704 (CHEMBL4754195) Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HIPK1 by radiometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50560704 (CHEMBL4754195) Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DYRK1A (unknown origin) by radiometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50560704 (CHEMBL4754195) Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	956	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DYRK1B by radiometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50560704 (CHEMBL4754195) Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human DYRK2 by radiometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Homo sapiens (Human))	BDBM50560704 (CHEMBL4754195) Show SMILES Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CLK3 by radiometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00898 BindingDB Entry DOI: 10.7270/Q2GQ72GZ
					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
					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
					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
					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
					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
					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
					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
					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
					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
					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
					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
					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
					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
					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
					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
					More data for this Ligand-Target Pair