BDBM50009686 (2-Chloro-9-methyl-9H-purin-6-yl)-cyclopentyl-amine::CHEMBL88788

SMILES: Cn1cnc2c(NC3CCCC3)nc(Cl)nc12

InChI Key: InChIKey=POGDPKCNXXTDJW-UHFFFAOYSA-N

Data: 3 KI  1 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 = 50009686   

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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50009686 ((2-Chloro-9-methyl-9H-purin-6-yl)-cyclopentyl-amin...) Show SMILES Cn1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C11H14ClN5/c1-17-6-13-8-9(14-7-4-2-3-5-7)15-11(12)16-10(8)17/h6-7H,2-5H2,1H3,(H,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand				J Med Chem 34: 2877-82 (1991) BindingDB Entry DOI: 10.7270/Q2Q81DQN
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50009686 ((2-Chloro-9-methyl-9H-purin-6-yl)-cyclopentyl-amin...) Show SMILES Cn1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C11H14ClN5/c1-17-6-13-8-9(14-7-4-2-3-5-7)15-11(12)16-10(8)17/h6-7H,2-5H2,1H3,(H,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as a radioligand				J Med Chem 34: 2877-82 (1991) BindingDB Entry DOI: 10.7270/Q2Q81DQN
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50009686 ((2-Chloro-9-methyl-9H-purin-6-yl)-cyclopentyl-amin...) Show SMILES Cn1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C11H14ClN5/c1-17-6-13-8-9(14-7-4-2-3-5-7)15-11(12)16-10(8)17/h6-7H,2-5H2,1H3,(H,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor in rat striatum by using [3H]NECA as a radioligand				J Med Chem 34: 2877-82 (1991) BindingDB Entry DOI: 10.7270/Q2Q81DQN
					More data for this Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2 (Homo sapiens (Human))	BDBM50009686 ((2-Chloro-9-methyl-9H-purin-6-yl)-cyclopentyl-amin...) Show SMILES Cn1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C11H14ClN5/c1-17-6-13-8-9(14-7-4-2-3-5-7)15-11(12)16-10(8)17/h6-7H,2-5H2,1H3,(H,14,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Bioorg Med Chem Lett 7: 2697-2702 (1997) Article DOI: 10.1016/S0960-894X(97)10076-2 BindingDB Entry DOI: 10.7270/Q2FJ2H8Q
					More data for this Ligand-Target Pair