BDBM50113739 2(bis-(hydroxyethyl)amino)-6-(4-methoxybenzylamino)-9-isopropyl-purine::2-(bis-(hydroxylethyl)amino)-6-(4-methoxybenzylamino)-9-isopropylpurine::2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-yl]-amino}-ethanol::CHEMBL80713

SMILES: CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)OC)N(CCO)CCO

InChI Key: InChIKey=NQVIIUBWMBHLOZ-UHFFFAOYSA-N

Data: 9 IC50

PDB links: 3 PDB IDs match 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 19 hits for monomerid = 50113739   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
cGMP-dependent 3',5'-cyclic phosphodiesterase (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
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Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
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High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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cGMP-specific 3',5'-cyclic phosphodiesterase (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
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cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
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cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-A2/Cyclin-dependent kinase 2 (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
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Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 1 (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-T1/Cyclin-dependent kinase 9 (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
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CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7 (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 5 activator 1 (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	419	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Human)	BDBM50113739 (2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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