BDBM7557 1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]pent-1-yn-3-ol::C-2 alkynylated purine deriv. 2e::CHEMBL445125

SMILES: CCC(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=DKJBMDONLLGPRA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 7557   

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 (Homo sapiens (Human))	BDBM7557 (1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]p...) Show SMILES CCC(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H23N5O/c1-4-16(26)10-11-17-23-19(21-12-15-8-6-5-7-9-15)18-20(24-17)25(13-22-18)14(2)3/h5-9,13-14,16,26H,4,12H2,1-3H3,(H,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	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				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish))	BDBM7557 (1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]p...) Show SMILES CCC(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H23N5O/c1-4-16(26)10-11-17-23-19(21-12-15-8-6-5-7-9-15)18-20(24-17)25(13-22-18)14(2)3/h5-9,13-14,16,26H,4,12H2,1-3H3,(H,21,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	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 Lett 8: 793-8 (1998) Article DOI: 10.1016/s0960-894x(98)00097-3 BindingDB Entry DOI: 10.7270/Q2TQ5ZRN
					More data for this Ligand-Target Pair