BindingDB PrimarySearch

BDBM50244787 (R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phenylamino]-9-isopropylpurine::CHEMBL215919

SMILES: CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=LWANFAFTTOKZAX-QGZVFWFLSA-N

Data: 15 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50244787
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 (Homo sapiens (Human))	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Curated by ChEMBL					Assay Description Inhibition of CDK1				J Med Chem 53: 1413-37 (2010) Article DOI: 10.1021/jm901132v BindingDB Entry DOI: 10.7270/Q2VD6ZK0
Schering-Plough Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Sus scrofa)	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris-Descartes Curated by ChEMBL					Assay Description Inhibition of pig brain GSK3alpha/beta				J Med Chem 51: 5229-42 (2008) Article DOI: 10.1021/jm800109e BindingDB Entry DOI: 10.7270/Q2DB84PF
Universite Paris-Descartes Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Curated by ChEMBL					Assay Description Inhibition of CDK5				J Med Chem 53: 1413-37 (2010) Article DOI: 10.1021/jm901132v BindingDB Entry DOI: 10.7270/Q2VD6ZK0
Schering-Plough Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				J Med Chem 53: 1413-37 (2010) Article DOI: 10.1021/jm901132v BindingDB Entry DOI: 10.7270/Q2VD6ZK0
Schering-Plough Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK5/p25 after 30 mins by scintillation counting				Bioorg Med Chem Lett 23: 125-31 (2012) Article DOI: 10.1016/j.bmcl.2012.10.141 BindingDB Entry DOI: 10.7270/Q2J38TVS
Universit£ Paris Descartes Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin B (unknown origin) after 30 mins by scintillation counting				Bioorg Med Chem Lett 23: 125-31 (2012) Article DOI: 10.1016/j.bmcl.2012.10.141 BindingDB Entry DOI: 10.7270/Q2J38TVS
Universit£ Paris Descartes Curated by ChEMBL					More data for this Ligand-Target Pair
Casein kinase I isoform alpha (Homo sapiens (Human))	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintillation counter				Eur J Med Chem 56: 30-38 (2012) Article DOI: 10.1016/j.ejmech.2012.08.007 BindingDB Entry DOI: 10.7270/Q2FJ2J2F
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	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 2 (CDK2) (Homo sapiens (Human))	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	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
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	215	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 9 (CDK9) (Homo sapiens (Human))	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+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 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
CDK7/Cyclin H/MNAT1 (Homo sapiens (Human))	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	822	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 1 (CDK1) (Homo sapiens (Human))	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+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 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
CDK2/CycE (Homo sapiens (Human))	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	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
Casein kinase I isoform alpha (Homo sapiens (Human))	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Curated by ChEMBL					Assay Description Inhibition of CK1				J Med Chem 53: 1413-37 (2010) Article DOI: 10.1021/jm901132v BindingDB Entry DOI: 10.7270/Q2VD6ZK0
Schering-Plough Curated by ChEMBL					More data for this Ligand-Target Pair