BindingDB PrimarySearch

null

SMILES: Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1

InChI Key: InChIKey=DYTKVFHLKPDNRW-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 8061
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 \| 4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4	-11.6	n/a	n/a	n/a	n/a	n/a	7.2	30
Cyclacel Limited					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...				Bioorg Med Chem Lett 14: 4237-40 (2004) Article DOI: 10.1016/j.bmcl.2004.06.012 BindingDB Entry DOI: 10.7270/Q2CJ8BPP
Cyclacel Limited					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 \| 4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	70	-9.92	n/a	n/a	n/a	n/a	n/a	7.2	30
Cyclacel Limited					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...				Bioorg Med Chem Lett 14: 4237-40 (2004) Article DOI: 10.1016/j.bmcl.2004.06.012 BindingDB Entry DOI: 10.7270/Q2CJ8BPP
Cyclacel Limited					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 \| 4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	80	-9.84	n/a	n/a	n/a	n/a	n/a	7.4	30
Cyclacel Limited					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...				Bioorg Med Chem Lett 14: 4237-40 (2004) Article DOI: 10.1016/j.bmcl.2004.06.012 BindingDB Entry DOI: 10.7270/Q2CJ8BPP
Cyclacel Limited					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 \| 4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+3	>-8.32	n/a	n/a	n/a	n/a	n/a	n/a	30
Cyclacel Limited					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...				Bioorg Med Chem Lett 14: 4237-40 (2004) Article DOI: 10.1016/j.bmcl.2004.06.012 BindingDB Entry DOI: 10.7270/Q2CJ8BPP
Cyclacel Limited					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 \| 4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	20	-10.7	n/a	n/a	n/a	n/a	n/a	n/a	30
Cyclacel Limited					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...				Bioorg Med Chem Lett 14: 4237-40 (2004) Article DOI: 10.1016/j.bmcl.2004.06.012 BindingDB Entry DOI: 10.7270/Q2CJ8BPP
Cyclacel Limited					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 \| 4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd					Assay Description In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.				Chem Biol 13: 201-11 (2006) Article DOI: 10.1016/j.chembiol.2005.11.011 BindingDB Entry DOI: 10.7270/Q2542M16
Cyclacel Ltd					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 \| 4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd					Assay Description In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.				Chem Biol 13: 201-11 (2006) Article DOI: 10.1016/j.chembiol.2005.11.011 BindingDB Entry DOI: 10.7270/Q2542M16
Cyclacel Ltd					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 \| 4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
Cyclacel Limited					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 \| 4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
Cyclacel Limited					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 \| 4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
Cyclacel Limited					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 \| 4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
Cyclacel Limited					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 \| 4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+3	>-8.32	n/a	n/a	n/a	n/a	n/a	n/a	30
Cyclacel Limited					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...				Bioorg Med Chem Lett 14: 4237-40 (2004) Article DOI: 10.1016/j.bmcl.2004.06.012 BindingDB Entry DOI: 10.7270/Q2CJ8BPP
Cyclacel Limited					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 \| 4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
Cyclacel Limited					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 \| 4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2	-12.1	n/a	n/a	n/a	n/a	n/a	n/a	30
Cyclacel Limited					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...				J Med Chem 47: 1662-75 (2004) Article DOI: 10.1021/jm0309957 BindingDB Entry DOI: 10.7270/Q2H993DD
Cyclacel Limited					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM8061 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 \| 4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	53	-10.1	n/a	n/a	n/a	n/a	n/a	n/a	30
Cyclacel Limited					Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...				J Med Chem 47: 1662-75 (2004) Article DOI: 10.1021/jm0309957 BindingDB Entry DOI: 10.7270/Q2H993DD
Cyclacel Limited					More data for this Ligand-Target Pair