BDBM10635 3-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(propan-2-yl)-9H-purin-6-yl}amino)methyl]phenol::3-{[(2-{[1-(hydroxymethyl)-2-methylpropyl]amino}-9-isopropyl-9H-purin-6-yl)amino]methyl}phenol::6-(3-hydroxybenzylamino)-2-[[(1-hydroxymethyl)-2-(methyl)propyl]amino]-9-isopropylpurine::CHEMBL84944::purine deriv. 3

SMILES: CC(C)C(CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=TUSYHQBFGFIWOG-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 5 PDB IDs contain inhibitors having a similarity of 90% to 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 3 hits for monomerid = 10635   

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))	BDBM10635 (3-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(pr...) Show SMILES CC(C)C(CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H28N6O2/c1-12(2)16(10-27)23-20-24-18(21-9-14-6-5-7-15(28)8-14)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,16,27-28H,9-10H2,1-4H3,(H2,21,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.4	30
Palacky University					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 Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human))	BDBM10635 (3-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(pr...) Show SMILES CC(C)C(CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H28N6O2/c1-12(2)16(10-27)23-20-24-18(21-9-14-6-5-7-15(28)8-14)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,16,27-28H,9-10H2,1-4H3,(H2,21,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany Curated by ChEMBL					Assay Description Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B				Bioorg Med Chem Lett 12: 3283-6 (2002) BindingDB Entry DOI: 10.7270/Q2FT8MK1
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM10635 (3-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(pr...) Show SMILES CC(C)C(CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H28N6O2/c1-12(2)16(10-27)23-20-24-18(21-9-14-6-5-7-15(28)8-14)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,16,27-28H,9-10H2,1-4H3,(H2,21,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.4	30
Palacky University					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 Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair