BDBM27338 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(piperidin-1-yl)-9H-purin-6-amine::Purine antagonist, 3b

SMILES: Clc1ccc(cc1)-n1c(nc2c(NN3CCCCC3)ncnc12)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=JHPCUAOEZFKOGG-UHFFFAOYSA-N

Data: 2 KI

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 = 27338   

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
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM27338 (9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(piper...) Show SMILES Clc1ccc(cc1)-n1c(nc2c(NN3CCCCC3)ncnc12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H19Cl3N6/c23-14-4-7-16(8-5-14)31-21(17-9-6-15(24)12-18(17)25)28-19-20(26-13-27-22(19)31)29-30-10-2-1-3-11-30/h4-9,12-13H,1-3,10-11H2,(H,26,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	-11.7	n/a	n/a	n/a	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 234-7 (2009) Article DOI: 10.1021/jm8012932 BindingDB Entry DOI: 10.7270/Q2CN7276
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM27338 (9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(piper...) Show SMILES Clc1ccc(cc1)-n1c(nc2c(NN3CCCCC3)ncnc12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H19Cl3N6/c23-14-4-7-16(8-5-14)31-21(17-9-6-15(24)12-18(17)25)28-19-20(26-13-27-22(19)31)29-30-10-2-1-3-11-30/h4-9,12-13H,1-3,10-11H2,(H,26,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40	-11.3	n/a	n/a	n/a	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 234-7 (2009) Article DOI: 10.1021/jm8012932 BindingDB Entry DOI: 10.7270/Q2CN7276
					More data for this Ligand-Target Pair