BDBM50384149 CHEMBL2029725

SMILES: CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1

InChI Key: InChIKey=LBJXQEHAPRESNJ-QGZVFWFLSA-N

Data: 4 KI  2 IC50  2 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 8 hits for monomerid = 50384149   

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 2 (Homo sapiens (Human))	BDBM50384149 (CHEMBL2029725) Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r| Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor				Bioorg Med Chem Lett 22: 3884-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.128 BindingDB Entry DOI: 10.7270/Q28P61JV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50384149 (CHEMBL2029725) Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r| Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 22: 3884-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.128 BindingDB Entry DOI: 10.7270/Q28P61JV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50384149 (CHEMBL2029725) Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r| Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor				Bioorg Med Chem Lett 22: 3884-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.128 BindingDB Entry DOI: 10.7270/Q28P61JV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50384149 (CHEMBL2029725) Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r| Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 22: 3884-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.128 BindingDB Entry DOI: 10.7270/Q28P61JV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50384149 (CHEMBL2029725) Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r| Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m1/s1	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	39.9	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding				Bioorg Med Chem Lett 22: 3884-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.128 BindingDB Entry DOI: 10.7270/Q28P61JV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50384149 (CHEMBL2029725) Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r| Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 22: 3884-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.128 BindingDB Entry DOI: 10.7270/Q28P61JV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50384149 (CHEMBL2029725) Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r| Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 22: 3884-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.128 BindingDB Entry DOI: 10.7270/Q28P61JV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50384149 (CHEMBL2029725) Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r| Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m1/s1	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	95.3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding				Bioorg Med Chem Lett 22: 3884-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.128 BindingDB Entry DOI: 10.7270/Q28P61JV
					More data for this Ligand-Target Pair