BDBM7504 2,6,9-Trisubstituted purine deriv. 4b::6-Chloro-2-iodo-9-isopropyl-9H-purine::6-chloro-2-iodo-9-(propan-2-yl)-9H-purine::CHEMBL337291

SMILES: CC(C)n1cnc2c(Cl)nc(I)nc12

InChI Key: InChIKey=QDWXVKPYLBNGEU-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 = 7504   

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))	BDBM7504 (2,6,9-Trisubstituted purine deriv. 4b | 6-Chloro-2...) Show SMILES CC(C)n1cnc2c(Cl)nc(I)nc12 Show InChI InChI=1S/C8H8ClIN4/c1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+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
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM7504 (2,6,9-Trisubstituted purine deriv. 4b | 6-Chloro-2...) Show SMILES CC(C)n1cnc2c(Cl)nc(I)nc12 Show InChI InChI=1S/C8H8ClIN4/c1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents 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))	BDBM7504 (2,6,9-Trisubstituted purine deriv. 4b | 6-Chloro-2...) Show SMILES CC(C)n1cnc2c(Cl)nc(I)nc12 Show InChI InChI=1S/C8H8ClIN4/c1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+5	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))	BDBM7504 (2,6,9-Trisubstituted purine deriv. 4b | 6-Chloro-2...) Show SMILES CC(C)n1cnc2c(Cl)nc(I)nc12 Show InChI InChI=1S/C8H8ClIN4/c1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents 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