BindingDB PrimarySearch

BDBM50229973 (4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(3-nitrophenyl)amine::4-methyl-5-(2-(3-nitrophenylamino)pyrimidin-4-yl)thiazol-2-amine::CHEMBL298445::[4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE

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

InChI Key: InChIKey=DYTKVFHLKPDNRW-UHFFFAOYSA-N

Data: 15 KI 7 IC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50229973
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-dependent kinase 2 (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK2				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
Cyclacel Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
University of Nebraska Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK9				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
Cyclacel Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) using (biotinyl-Ahx-(Tyr-Ser-ProThr-Ser-Pro-Ser)4-NH2 as substrate after 45 mins by [gamma-32P]ATP base...				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
University of Nebraska Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Cancer Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin)				J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK4				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
Cyclacel Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora B after 60 mins				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
Cyclacel Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7) (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Cdk7/cyclin H				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK7				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
Cyclacel Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank 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 Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A after 30 mins				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
Cyclacel Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK1				J Med Chem 53: 4367-78 (2010) Article DOI: 10.1021/jm901913s BindingDB Entry DOI: 10.7270/Q2930T9D
Cyclacel Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Cancer Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Abl				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	396	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Cancer Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of GST-tagged CDK2/cyclin A2 (unknown origin) expressed in Escherichia coli using histone H1 as substrate in presence of [gamma-33P]-ATP b...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair				3D Structure (crystal)
CDK7/Cyclin H/MNAT1 (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of GST-tagged CDK7/cyclinH/MAT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as su...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate as substrate in presence...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	655	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of GST-tagged CDK4/cyclin D1 (unknown origin) expressed in Baculovirus infected Sf9 cells using RPPTLSPIPHIPR peptide as substrate in pres...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of GST-tagged CDK9/CyclinT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as substr...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of His-tagged CDK2/cyclin E (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [gam...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50229973 ((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of His-tagged CDK1/cyclin B1 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [ga...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair