BDBM7581 1-{6-[(4-methoxyphenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}-3-methylpent-1-yn-3-ol::1-{9-isopropyl-6-[(4-methoxyphenyl)amino]-9H-purin-2-yl}-3-methylpent-1-yn-3-ol::C-2 alkynylated purine deriv. 5b::CHEMBL23317

SMILES: CCC(C)(O)C#Cc1nc(Nc2ccc(OC)cc2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=DGOKLJDKDDKOQC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 7581   

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))	BDBM7581 (1-{6-[(4-methoxyphenyl)amino]-9-(propan-2-yl)-9H-p...) Show SMILES CCC(C)(O)C#Cc1nc(Nc2ccc(OC)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H25N5O2/c1-6-21(4,27)12-11-17-24-19(23-15-7-9-16(28-5)10-8-15)18-20(25-17)26(13-22-18)14(2)3/h7-10,13-14,27H,6H2,1-5H3,(H,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	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...				J Med Chem 43: 1282-92 (2000) Article DOI: 10.1021/jm9911130 BindingDB Entry DOI: 10.7270/Q2K935R2
					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM7581 (1-{6-[(4-methoxyphenyl)amino]-9-(propan-2-yl)-9H-p...) Show SMILES CCC(C)(O)C#Cc1nc(Nc2ccc(OC)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H25N5O2/c1-6-21(4,27)12-11-17-24-19(23-15-7-9-16(28-5)10-8-15)18-20(25-17)26(13-22-18)14(2)3/h7-10,13-14,27H,6H2,1-5H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	300	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))	BDBM7581 (1-{6-[(4-methoxyphenyl)amino]-9-(propan-2-yl)-9H-p...) Show SMILES CCC(C)(O)C#Cc1nc(Nc2ccc(OC)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H25N5O2/c1-6-21(4,27)12-11-17-24-19(23-15-7-9-16(28-5)10-8-15)18-20(25-17)26(13-22-18)14(2)3/h7-10,13-14,27H,6H2,1-5H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	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