BindingDB PrimarySearch

BDBM7478 2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino}-9-isopropyl-9H-purin-6-yl)amino]benzoic acid::2-chloro-4-[(2-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl)amino]benzoic acid::CHEMBL23254::Purvalanol B

SMILES: CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=ZKDXRFMOHZVXSG-HNNXBMFYSA-N

Data: 27 IC50

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 7478
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 1 (CDK1) (Marthasterias glacialis (starfish))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	30
Universidad San Pablo CEU					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...				J Med Chem 48: 6843-54 (2005) Article DOI: 10.1021/jm058013g BindingDB Entry DOI: 10.7270/Q2GH9G44
Universidad San Pablo CEU					More data for this Ligand-Target Pair
Cell division control protein 28 (Saccharomyces cerevisiae)	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae cdc28				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C, eta (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human PKCeta				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human PKCalpha				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Cdc2 (Asterina pectinifera)	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 1.5 mM [gamma32P]ATP				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human cdc2/cyclin B assessed as [32P] incorporation in histone H1 from [gamma32P]ATP				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
PKC alpha and beta-2 (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human PKCbeta2				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2 (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of Cyclin E-cyclin-dependent kinase 2				J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB
Aventis Pharma Deutschland GmbH Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of Cyclin D1-cyclin-dependent kinase 4				J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB
Aventis Pharma Deutschland GmbH Curated by ChEMBL					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of cAMP-dependent protein kinase				J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB
Aventis Pharma Deutschland GmbH Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of cyclin dependent kinase 1-cyclinB				J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB
Aventis Pharma Deutschland GmbH Curated by ChEMBL					More data for this Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of Cyclin A-cyclin-dependent kinase 2				J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB
Aventis Pharma Deutschland GmbH Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase 3 (MAPK-ERK1)				J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB
Aventis Pharma Deutschland GmbH Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to cyclin-dependent kinase 1 (CDK1)				J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB
Aventis Pharma Deutschland GmbH Curated by ChEMBL					More data for this Ligand-Target Pair
Cdc2 (Asterina pectinifera)	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 150 M [gamma32P]ATP				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human cdk2/cyclin A				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human cdk4/cyclin D1				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human cdk5/p35				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human Erk1				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
PKC alpha and beta-2 (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human PKCbeta1				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C, gamma (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human PKCgamma				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human PKCdelta				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C, epsilon (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human PKCepsilon				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C (PKC) (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human PKCzeta				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human insulin receptor				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7478 (2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human cdk2/cyclin E				Science 281: 533-538 (1998) BindingDB Entry DOI: 10.7270/Q28G8MMG
University of California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)