BDBM7509 2,6,9-Trisubstituted purine deriv. 5e::CHEMBL335938::N-benzyl-9-cyclohexyl-2-iodo-9H-purin-6-amine

SMILES: Ic1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1

InChI Key: InChIKey=PMLGWQLPNQHQLP-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 7509   

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))	BDBM7509 (2,6,9-Trisubstituted purine deriv. 5e | CHEMBL3359...) Show SMILES Ic1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1 Show InChI InChI=1S/C18H20IN5/c19-18-22-16(20-11-13-7-3-1-4-8-13)15-17(23-18)24(12-21-15)14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,20,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	7.2	30
Institut Curie					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. 32...				Bioorg Med Chem 7: 1281-93 (1999) Article DOI: 10.1016/S0968-0896(99)00064-4 BindingDB Entry DOI: 10.7270/Q23776X6
					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM7509 (2,6,9-Trisubstituted purine deriv. 5e | CHEMBL3359...) Show SMILES Ic1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1 Show InChI InChI=1S/C18H20IN5/c19-18-22-16(20-11-13-7-3-1-4-8-13)15-17(23-18)24(12-21-15)14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against cyclin-dependent kinase 5				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7509 (2,6,9-Trisubstituted purine deriv. 5e | CHEMBL3359...) Show SMILES Ic1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1 Show InChI InChI=1S/C18H20IN5/c19-18-22-16(20-11-13-7-3-1-4-8-13)15-17(23-18)24(12-21-15)14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 (CDK1)				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM7509 (2,6,9-Trisubstituted purine deriv. 5e | CHEMBL3359...) Show SMILES Ic1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1 Show InChI InChI=1S/C18H20IN5/c19-18-22-16(20-11-13-7-3-1-4-8-13)15-17(23-18)24(12-21-15)14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.2	30
Institut Curie					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. 32...				Bioorg Med Chem 7: 1281-93 (1999) Article DOI: 10.1016/S0968-0896(99)00064-4 BindingDB Entry DOI: 10.7270/Q23776X6
					More data for this Ligand-Target Pair