BDBM7556 4-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]but-3-yn-1-ol::C-2 alkynylated purine deriv. 2d::CHEMBL337411

SMILES: CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCCO

InChI Key: InChIKey=FEEMBKYCJICMHS-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 = 7556   

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))	BDBM7556 (4-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]b...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCCO Show InChI InChI=1S/C19H21N5O/c1-14(2)24-13-21-17-18(20-12-15-8-4-3-5-9-15)22-16(23-19(17)24)10-6-7-11-25/h3-5,8-9,13-14,25H,7,11-12H2,1-2H3,(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	350	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 1 (CDK1) (Marthasterias glacialis (starfish))	BDBM7556 (4-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]b...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCCO Show InChI InChI=1S/C19H21N5O/c1-14(2)24-13-21-17-18(20-12-15-8-4-3-5-9-15)22-16(23-19(17)24)10-6-7-11-25/h3-5,8-9,13-14,25H,7,11-12H2,1-2H3,(H,20,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	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