BDBM10910 (2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol::O6-(R)-roscovitine::R-2-(6-Benzyloxy-9-isopropyl-9H-purin-2-yl-amino)-butan-1-ol

SMILES: CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=HGADNQLEUZSUEJ-OAHLLOKOSA-N

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 10910   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish))	BDBM10910 ((2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-...) Show SMILES CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.00E+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
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM10910 ((2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-...) Show SMILES CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	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
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM10910 ((2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-...) Show SMILES CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	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
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM10910 ((2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-...) Show SMILES CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.00E+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
					More data for this Ligand-Target Pair
Casein Kinase I (Rattus norvegicus (rat))	BDBM10910 ((2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-...) Show SMILES CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	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
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM10910 ((2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-...) Show SMILES CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.00E+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
					More data for this Ligand-Target Pair