BDBM7505 2,6,9-Trisubstituted purine deriv. 5a::2-iodo-N,9-dimethyl-N-(prop-2-en-1-yl)-9H-purin-6-amine::CHEMBL336117

SMILES: CN(CC=C)c1nc(I)nc2n(C)cnc12

InChI Key: InChIKey=ASHNQGPAOFGMPH-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 = 7505   

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))	BDBM7505 (2,6,9-Trisubstituted purine deriv. 5a | 2-iodo-N,9...) Show SMILES CN(CC=C)c1nc(I)nc2n(C)cnc12 Show InChI InChI=1S/C10H12IN5/c1-4-5-15(2)8-7-9(14-10(11)13-8)16(3)6-12-7/h4,6H,1,5H2,2-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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))	BDBM7505 (2,6,9-Trisubstituted purine deriv. 5a | 2-iodo-N,9...) Show SMILES CN(CC=C)c1nc(I)nc2n(C)cnc12 Show InChI InChI=1S/C10H12IN5/c1-4-5-15(2)8-7-9(14-10(11)13-8)16(3)6-12-7/h4,6H,1,5H2,2-3H3	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	4.00E+4	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))	BDBM7505 (2,6,9-Trisubstituted purine deriv. 5a | 2-iodo-N,9...) Show SMILES CN(CC=C)c1nc(I)nc2n(C)cnc12 Show InChI InChI=1S/C10H12IN5/c1-4-5-15(2)8-7-9(14-10(11)13-8)16(3)6-12-7/h4,6H,1,5H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+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))	BDBM7505 (2,6,9-Trisubstituted purine deriv. 5a | 2-iodo-N,9...) Show SMILES CN(CC=C)c1nc(I)nc2n(C)cnc12 Show InChI InChI=1S/C10H12IN5/c1-4-5-15(2)8-7-9(14-10(11)13-8)16(3)6-12-7/h4,6H,1,5H2,2-3H3	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	4.00E+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