BDBM50380900 CHEMBL2019080

SMILES: OC(=O)C1(CCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O

InChI Key: InChIKey=GJRWDZXBDAHESD-UHFFFAOYSA-N

Data: 4 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 6 hits for monomerid = 50380900   

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))	BDBM50380900 (CHEMBL2019080) Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O Show InChI InChI=1S/C25H36N2O4/c28-22(26-25(24(30)31)14-8-9-15-25)20-16-19-12-6-1-2-7-13-21(19)27(23(20)29)17-18-10-4-3-5-11-18/h16,18H,1-15,17H2,(H,26,28)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Eur J Med Chem 93: 16-32 (2015) Article DOI: 10.1016/j.ejmech.2015.01.054 BindingDB Entry DOI: 10.7270/Q28P626S
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50380900 (CHEMBL2019080) Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O Show InChI InChI=1S/C25H36N2O4/c28-22(26-25(24(30)31)14-8-9-15-25)20-16-19-12-6-1-2-7-13-21(19)27(23(20)29)17-18-10-4-3-5-11-18/h16,18H,1-15,17H2,(H,26,28)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Eur J Med Chem 93: 16-32 (2015) Article DOI: 10.1016/j.ejmech.2015.01.054 BindingDB Entry DOI: 10.7270/Q28P626S
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50380900 (CHEMBL2019080) Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O Show InChI InChI=1S/C25H36N2O4/c28-22(26-25(24(30)31)14-8-9-15-25)20-16-19-12-6-1-2-7-13-21(19)27(23(20)29)17-18-10-4-3-5-11-18/h16,18H,1-15,17H2,(H,26,28)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins				Bioorg Med Chem Lett 22: 2803-6 (2012) Article DOI: 10.1016/j.bmcl.2012.02.072 BindingDB Entry DOI: 10.7270/Q2DB82VV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50380900 (CHEMBL2019080) Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O Show InChI InChI=1S/C25H36N2O4/c28-22(26-25(24(30)31)14-8-9-15-25)20-16-19-12-6-1-2-7-13-21(19)27(23(20)29)17-18-10-4-3-5-11-18/h16,18H,1-15,17H2,(H,26,28)(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins				Bioorg Med Chem Lett 22: 2803-6 (2012) Article DOI: 10.1016/j.bmcl.2012.02.072 BindingDB Entry DOI: 10.7270/Q2DB82VV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50380900 (CHEMBL2019080) Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O Show InChI InChI=1S/C25H36N2O4/c28-22(26-25(24(30)31)14-8-9-15-25)20-16-19-12-6-1-2-7-13-21(19)27(23(20)29)17-18-10-4-3-5-11-18/h16,18H,1-15,17H2,(H,26,28)(H,30,31)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 45 mins				Bioorg Med Chem Lett 22: 2803-6 (2012) Article DOI: 10.1016/j.bmcl.2012.02.072 BindingDB Entry DOI: 10.7270/Q2DB82VV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50380900 (CHEMBL2019080) Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O Show InChI InChI=1S/C25H36N2O4/c28-22(26-25(24(30)31)14-8-9-15-25)20-16-19-12-6-1-2-7-13-21(19)27(23(20)29)17-18-10-4-3-5-11-18/h16,18H,1-15,17H2,(H,26,28)(H,30,31)	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	113	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 25 mins				Bioorg Med Chem Lett 22: 2803-6 (2012) Article DOI: 10.1016/j.bmcl.2012.02.072 BindingDB Entry DOI: 10.7270/Q2DB82VV
					More data for this Ligand-Target Pair