BindingDB PrimarySearch

BDBM10909 (2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)butan-1-ol::N6-methyl-(R)-roscovitine::R-2-[6-(Benzyl-methyl-amino)-9-isopropyl-9H-purin-2-ylamino]-butan-1-ol

SMILES: CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=YPYWONAECUVKHY-MRXNPFEDSA-N

Data: 6 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 10909
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))	BDBM10909 ((2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	7.2	30
Chinese Academy of Sciences					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Biol Chem 280: 31220-9 (2005) Article DOI: 10.1074/jbc.M500805200 BindingDB Entry DOI: 10.7270/Q2Q81B9F
Chinese Academy of Sciences					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM10909 ((2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	7.2	30
Chinese Academy of Sciences					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Biol Chem 280: 31220-9 (2005) Article DOI: 10.1074/jbc.M500805200 BindingDB Entry DOI: 10.7270/Q2Q81B9F
Chinese Academy of Sciences					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM10909 ((2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	7.2	30
Chinese Academy of Sciences					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Biol Chem 280: 31220-9 (2005) Article DOI: 10.1074/jbc.M500805200 BindingDB Entry DOI: 10.7270/Q2Q81B9F
Chinese Academy of Sciences					More data for this Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human))	BDBM10909 ((2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method				ACS Med Chem Lett 3: 985-990 (2012) Article DOI: 10.1021/ml3002083 BindingDB Entry DOI: 10.7270/Q2BC40P0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Casein Kinase I (Rattus norvegicus (rat))	BDBM10909 ((2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	7.2	30
Chinese Academy of Sciences					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Biol Chem 280: 31220-9 (2005) Article DOI: 10.1074/jbc.M500805200 BindingDB Entry DOI: 10.7270/Q2Q81B9F
Chinese Academy of Sciences					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM10909 ((2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	7.2	30
Chinese Academy of Sciences					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Biol Chem 280: 31220-9 (2005) Article DOI: 10.1074/jbc.M500805200 BindingDB Entry DOI: 10.7270/Q2Q81B9F
Chinese Academy of Sciences					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM10909 ((2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	7.2	30
Chinese Academy of Sciences					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Biol Chem 280: 31220-9 (2005) Article DOI: 10.1074/jbc.M500805200 BindingDB Entry DOI: 10.7270/Q2Q81B9F
Chinese Academy of Sciences					More data for this Ligand-Target Pair