BDBM50009702 2-Chloro-9-methyl-9H-purin-6-ylamine::CHEMBL317398

SMILES: Cn1cnc2c(N)nc(Cl)nc12

InChI Key: InChIKey=XBMKMJLOOAHOKH-UHFFFAOYSA-N

Data: 3 KI  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 5 hits for monomerid = 50009702   

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 A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50009702 (2-Chloro-9-methyl-9H-purin-6-ylamine | CHEMBL31739...) Show SMILES Cn1cnc2c(N)nc(Cl)nc12 Show InChI InChI=1S/C6H6ClN5/c1-12-2-9-3-4(8)10-6(7)11-5(3)12/h2H,1H3,(H2,8,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	1.10E+4	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
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50009702 (2-Chloro-9-methyl-9H-purin-6-ylamine | CHEMBL31739...) Show SMILES Cn1cnc2c(N)nc(Cl)nc12 Show InChI InChI=1S/C6H6ClN5/c1-12-2-9-3-4(8)10-6(7)11-5(3)12/h2H,1H3,(H2,8,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	1.60E+4	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 receptor A1 (Rattus norvegicus (rat))	BDBM50009702 (2-Chloro-9-methyl-9H-purin-6-ylamine | CHEMBL31739...) Show SMILES Cn1cnc2c(N)nc(Cl)nc12 Show InChI InChI=1S/C6H6ClN5/c1-12-2-9-3-4(8)10-6(7)11-5(3)12/h2H,1H3,(H2,8,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	2.30E+4	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
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50009702 (2-Chloro-9-methyl-9H-purin-6-ylamine | CHEMBL31739...) Show SMILES Cn1cnc2c(N)nc(Cl)nc12 Show InChI InChI=1S/C6H6ClN5/c1-12-2-9-3-4(8)10-6(7)11-5(3)12/h2H,1H3,(H2,8,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.25E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The compound was tested for the inhibition of fibrinogen receptor				J Med Chem 60: 8170-8182 (2017) Article DOI: 10.1021/acs.jmedchem.7b01066 BindingDB Entry DOI: 10.7270/Q2K64M72
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50009702 (2-Chloro-9-methyl-9H-purin-6-ylamine | CHEMBL31739...) Show SMILES Cn1cnc2c(N)nc(Cl)nc12 Show InChI InChI=1S/C6H6ClN5/c1-12-2-9-3-4(8)10-6(7)11-5(3)12/h2H,1H3,(H2,8,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.				J Med Chem 40: 408-12 (1997) Article DOI: 10.1021/jm960666x BindingDB Entry DOI: 10.7270/Q2GF0SNG
					More data for this Ligand-Target Pair