BDBM50382742 CHEMBL2023577

SMILES: OC(=O)Cc1ccc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)cc1

InChI Key: InChIKey=VGPHZQSTCRIBBO-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 = 50382742   

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))	BDBM50382742 (CHEMBL2023577) Show SMILES OC(=O)Cc1ccc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)cc1 Show InChI InChI=1S/C27H34N2O4/c30-25(31)16-19-12-14-22(15-13-19)28-26(32)23-17-21-10-6-1-2-7-11-24(21)29(27(23)33)18-20-8-4-3-5-9-20/h12-15,17,20H,1-11,16,18H2,(H,28,32)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	74	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 CB2 receptor membrane fractions				Bioorg Med Chem Lett 22: 2898-901 (2012) Article DOI: 10.1016/j.bmcl.2012.02.050 BindingDB Entry DOI: 10.7270/Q2Q81F30
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50382742 (CHEMBL2023577) Show SMILES OC(=O)Cc1ccc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)cc1 Show InChI InChI=1S/C27H34N2O4/c30-25(31)16-19-12-14-22(15-13-19)28-26(32)23-17-21-10-6-1-2-7-11-24(21)29(27(23)33)18-20-8-4-3-5-9-20/h12-15,17,20H,1-11,16,18H2,(H,28,32)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	74	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))	BDBM50382742 (CHEMBL2023577) Show SMILES OC(=O)Cc1ccc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)cc1 Show InChI InChI=1S/C27H34N2O4/c30-25(31)16-19-12-14-22(15-13-19)28-26(32)23-17-21-10-6-1-2-7-11-24(21)29(27(23)33)18-20-8-4-3-5-9-20/h12-15,17,20H,1-11,16,18H2,(H,28,32)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	74	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 1 (Homo sapiens (Human))	BDBM50382742 (CHEMBL2023577) Show SMILES OC(=O)Cc1ccc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)cc1 Show InChI InChI=1S/C27H34N2O4/c30-25(31)16-19-12-14-22(15-13-19)28-26(32)23-17-21-10-6-1-2-7-11-24(21)29(27(23)33)18-20-8-4-3-5-9-20/h12-15,17,20H,1-11,16,18H2,(H,28,32)(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.99E+3	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 CB1 receptor membrane fractions				Bioorg Med Chem Lett 22: 2898-901 (2012) Article DOI: 10.1016/j.bmcl.2012.02.050 BindingDB Entry DOI: 10.7270/Q2Q81F30
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50382742 (CHEMBL2023577) Show SMILES OC(=O)Cc1ccc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)cc1 Show InChI InChI=1S/C27H34N2O4/c30-25(31)16-19-12-14-22(15-13-19)28-26(32)23-17-21-10-6-1-2-7-11-24(21)29(27(23)33)18-20-8-4-3-5-9-20/h12-15,17,20H,1-11,16,18H2,(H,28,32)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	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 increase in forskolin-induced cAMP levels after 20 mins				Bioorg Med Chem Lett 22: 2898-901 (2012) Article DOI: 10.1016/j.bmcl.2012.02.050 BindingDB Entry DOI: 10.7270/Q2Q81F30
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50382742 (CHEMBL2023577) Show SMILES OC(=O)Cc1ccc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)cc1 Show InChI InChI=1S/C27H34N2O4/c30-25(31)16-19-12-14-22(15-13-19)28-26(32)23-17-21-10-6-1-2-7-11-24(21)29(27(23)33)18-20-8-4-3-5-9-20/h12-15,17,20H,1-11,16,18H2,(H,28,32)(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	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 increase in forskolin-induced cAMP levels after 20 mins				Bioorg Med Chem Lett 22: 2898-901 (2012) Article DOI: 10.1016/j.bmcl.2012.02.050 BindingDB Entry DOI: 10.7270/Q2Q81F30
					More data for this Ligand-Target Pair