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SMILES: Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1

InChI Key: InChIKey=BSCBVJDZICZHJY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 5484   

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/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5484 (6-(cyclopent-1-en-1-ylmethoxy)-9H-purin-2-amine | ...) Show SMILES Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1 |t:6| Show InChI InChI=1S/C11H13N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h3,6H,1-2,4-5H2,(H3,12,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5484 (6-(cyclopent-1-en-1-ylmethoxy)-9H-purin-2-amine | ...) Show SMILES Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1 |t:6| Show InChI InChI=1S/C11H13N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h3,6H,1-2,4-5H2,(H3,12,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM5484 (6-(cyclopent-1-en-1-ylmethoxy)-9H-purin-2-amine | ...) Show SMILES Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1 |t:6| Show InChI InChI=1S/C11H13N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h3,6H,1-2,4-5H2,(H3,12,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B				J Med Chem 51: 1179-88 (2008) Article DOI: 10.1021/jm070654j BindingDB Entry DOI: 10.7270/Q29Z95RD
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM5484 (6-(cyclopent-1-en-1-ylmethoxy)-9H-purin-2-amine | ...) Show SMILES Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1 |t:6| Show InChI InChI=1S/C11H13N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h3,6H,1-2,4-5H2,(H3,12,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description Inhibition of AGT activity to 50% of control rate in HT-29 cell extract				J Med Chem 43: 4071-83 (2000) BindingDB Entry DOI: 10.7270/Q2RF5T8B
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM5484 (6-(cyclopent-1-en-1-ylmethoxy)-9H-purin-2-amine | ...) Show SMILES Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1 |t:6| Show InChI InChI=1S/C11H13N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h3,6H,1-2,4-5H2,(H3,12,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
The University Curated by ChEMBL					Assay Description concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells				J Med Chem 43: 4071-83 (2000) BindingDB Entry DOI: 10.7270/Q2RF5T8B
					More data for this Ligand-Target Pair