BindingDB PrimarySearch

BDBM50246253 4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine::AZD-5438::CHEMBL488436

SMILES: CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1

InChI Key: InChIKey=WJRRGYBTGDJBFX-UHFFFAOYSA-N

Data: 11 IC50 1 Kd

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50246253
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
Ferrochelatase R115L (FECH) (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a
Technical University of Munich					Assay Description Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...				ACS Chem Biol 11: 1245-54 (2016) Article DOI: 10.1021/acschembio.5b01063 BindingDB Entry DOI: 10.7270/Q2FB51R8
Technical University of Munich					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
AstraZeneca Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Cyclin E/CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-A2 (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Cyclin A/CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
G2/mitotic-specific cyclin-B1 (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Cyclin B1/CDK1				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A2 (unknown origin) using histone H1 and ATP as substrate incubated for 40 mins by kinase-glo luminescence assay				Eur J Med Chem 179: 196-207 (2019) Article DOI: 10.1016/j.ejmech.2019.06.055
Southern Medical University Curated by ChEMBL					More data for this Ligand-Target Pair
G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Cyclin D3/CDK6				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK4				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6369-73 (2008) Article DOI: 10.1016/j.bmcl.2008.10.102 BindingDB Entry DOI: 10.7270/Q2XW4JNM
AstraZeneca Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Bioorg Med Chem Lett 18: 6369-73 (2008) Article DOI: 10.1016/j.bmcl.2008.10.102 BindingDB Entry DOI: 10.7270/Q2XW4JNM
AstraZeneca Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-T1 (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Cyclin T/CDK9				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair