BDBM50387876 CHEMBL2057802

SMILES: COC(=O)NCCn1c(nc2c(nc(C)nc12)N1CCN(C)CC1)-c1ccccc1Cl

InChI Key: InChIKey=ANQDZRSJEJYATQ-UHFFFAOYSA-N

Data: 4 EC50

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 = 50387876   

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 (Homo sapiens (Human))	BDBM50387876 (CHEMBL2057802) Show SMILES COC(=O)NCCn1c(nc2c(nc(C)nc12)N1CCN(C)CC1)-c1ccccc1Cl Show InChI InChI=1S/C21H26ClN7O2/c1-14-24-19(28-12-10-27(2)11-13-28)17-20(25-14)29(9-8-23-21(30)31-3)18(26-17)15-6-4-5-7-16(15)22/h4-7H,8-13H2,1-3H3,(H,23,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in Sf9 cells by [35S]-GTPgammaS binding assay				Bioorg Med Chem Lett 24: 5572-5 (2014) Article DOI: 10.1016/j.bmcl.2014.11.006 BindingDB Entry DOI: 10.7270/Q2R78GVW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50387876 (CHEMBL2057802) Show SMILES COC(=O)NCCn1c(nc2c(nc(C)nc12)N1CCN(C)CC1)-c1ccccc1Cl Show InChI InChI=1S/C21H26ClN7O2/c1-14-24-19(28-12-10-27(2)11-13-28)17-20(25-14)29(9-8-23-21(30)31-3)18(26-17)15-6-4-5-7-16(15)22/h4-7H,8-13H2,1-3H3,(H,23,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	47.5	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO cells assessed as [35S]-GTPgammaS binding preincubated for 25 mins measured after 30 mins by ...				Bioorg Med Chem Lett 22: 4962-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.035 BindingDB Entry DOI: 10.7270/Q2Z60Q3D
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50387876 (CHEMBL2057802) Show SMILES COC(=O)NCCn1c(nc2c(nc(C)nc12)N1CCN(C)CC1)-c1ccccc1Cl Show InChI InChI=1S/C21H26ClN7O2/c1-14-24-19(28-12-10-27(2)11-13-28)17-20(25-14)29(9-8-23-21(30)31-3)18(26-17)15-6-4-5-7-16(15)22/h4-7H,8-13H2,1-3H3,(H,23,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in CHO cells assessed as [35S]-GTPgammaS binding preincubated for 25 mins measured after 30 mins by ...				Bioorg Med Chem Lett 22: 4962-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.035 BindingDB Entry DOI: 10.7270/Q2Z60Q3D
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50387876 (CHEMBL2057802) Show SMILES COC(=O)NCCn1c(nc2c(nc(C)nc12)N1CCN(C)CC1)-c1ccccc1Cl Show InChI InChI=1S/C21H26ClN7O2/c1-14-24-19(28-12-10-27(2)11-13-28)17-20(25-14)29(9-8-23-21(30)31-3)18(26-17)15-6-4-5-7-16(15)22/h4-7H,8-13H2,1-3H3,(H,23,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	48	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO cells by [35S]-GTPgammaS binding assay				Bioorg Med Chem Lett 24: 5572-5 (2014) Article DOI: 10.1016/j.bmcl.2014.11.006 BindingDB Entry DOI: 10.7270/Q2R78GVW
					More data for this Ligand-Target Pair