BDBM7585 (R,S)-Roscovitine::2,6,9-Trisubstituted purine deriv. 27::2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol::CHEMBL52387::US10294218, Example Roscovitine::US9617225, Roscovitine

SMILES: CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3

InChI Key: InChIKey=BTIHMVBBUGXLCJ-UHFFFAOYSA-N

Data: 1 KI  13 IC50

PDB links: 6 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 14 hits for monomerid = 7585   

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
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Spiny starfish)	BDBM7585 (2,6,9-Trisubstituted purine deriv. 27 | CHEMBL5238...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	30
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Cyclin-dependent kinase 5 activator 1 (Human)	BDBM7585 (2,6,9-Trisubstituted purine deriv. 27 | CHEMBL5238...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	30
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Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Spiny starfish)	BDBM7585 (2,6,9-Trisubstituted purine deriv. 27 | CHEMBL5238...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	650	n/a	n/a	n/a	n/a	7.2	30
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Cyclin-dependent kinase 9 (Human)	BDBM7585 (2,6,9-Trisubstituted purine deriv. 27 | CHEMBL5238...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-T1/Cyclin-dependent kinase 9 (Human)	BDBM7585 (2,6,9-Trisubstituted purine deriv. 27 | CHEMBL5238...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 1 (Human)	BDBM7585 (2,6,9-Trisubstituted purine deriv. 27 | CHEMBL5238...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 1 (Human)	BDBM7585 (2,6,9-Trisubstituted purine deriv. 27 | CHEMBL5238...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
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Aldo-keto reductase family 1 member C3 (Human)	BDBM7585 (2,6,9-Trisubstituted purine deriv. 27 | CHEMBL5238...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cdk-related protein kinase 6 (Plasmodium falciparum)	BDBM7585 (2,6,9-Trisubstituted purine deriv. 27 | CHEMBL5238...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-H/Cyclin-dependent kinase 7 (Human)	BDBM7585 (2,6,9-Trisubstituted purine deriv. 27 | CHEMBL5238...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	490	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)	BDBM7585 (2,6,9-Trisubstituted purine deriv. 27 | CHEMBL5238...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	100	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)	BDBM7585 (2,6,9-Trisubstituted purine deriv. 27 | CHEMBL5238...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.42E+4	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)	BDBM7585 (2,6,9-Trisubstituted purine deriv. 27 | CHEMBL5238...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Aldo-keto reductase family 1 member C3 (Human)	BDBM7585 (2,6,9-Trisubstituted purine deriv. 27 | CHEMBL5238...) Show SMILES Show InChI	GoogleScholar	UniChem		1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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