Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 364.4 BDBM50449579

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50449579 (CHEMBL4172931) Show SMILES Cc1ccc(COc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:14| Show InChI InChI=1S/C21H20N2O2S/c1-15-6-8-16(9-7-15)14-25-18-5-2-4-17(12-18)13-19-20(24)23-10-3-11-26-21(23)22-19/h2,4-9,12-13H,3,10-11,14H2,1H3/b19-13-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method				Eur J Med Chem 155: 381-397 (2018) Article DOI: 10.1016/j.ejmech.2018.05.050 BindingDB Entry DOI: 10.7270/Q22F7R1X
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50449579 (CHEMBL4172931) Show SMILES Cc1ccc(COc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:14| Show InChI InChI=1S/C21H20N2O2S/c1-15-6-8-16(9-7-15)14-25-18-5-2-4-17(12-18)13-19-20(24)23-10-3-11-26-21(23)22-19/h2,4-9,12-13H,3,10-11,14H2,1H3/b19-13-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method				Eur J Med Chem 155: 381-397 (2018) Article DOI: 10.1016/j.ejmech.2018.05.050 BindingDB Entry DOI: 10.7270/Q22F7R1X
					More data for this Ligand-Target Pair
N-arachidonyl glycine receptor (Homo sapiens (Human))	BDBM50449579 (CHEMBL4172931) Show SMILES Cc1ccc(COc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:14| Show InChI InChI=1S/C21H20N2O2S/c1-15-6-8-16(9-7-15)14-25-18-5-2-4-17(12-18)13-19-20(24)23-10-3-11-26-21(23)22-19/h2,4-9,12-13H,3,10-11,14H2,1H3/b19-13-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at recombinant human GPR18 expressed in CHO cells assessed as inhibition of delta9-THC-induced beta-arrestin recruitment preincub...				Eur J Med Chem 155: 381-397 (2018) Article DOI: 10.1016/j.ejmech.2018.05.050 BindingDB Entry DOI: 10.7270/Q22F7R1X
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50449579 (CHEMBL4172931) Show SMILES Cc1ccc(COc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:14| Show InChI InChI=1S/C21H20N2O2S/c1-15-6-8-16(9-7-15)14-25-18-5-2-4-17(12-18)13-19-20(24)23-10-3-11-26-21(23)22-19/h2,4-9,12-13H,3,10-11,14H2,1H3/b19-13-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at recombinant human GPR55 expressed in CHO cells assessed as inhibition of lysophosphatidylinositol-induced beta-arrestin recrui...				Eur J Med Chem 155: 381-397 (2018) Article DOI: 10.1016/j.ejmech.2018.05.050 BindingDB Entry DOI: 10.7270/Q22F7R1X
					More data for this Ligand-Target Pair
N-arachidonyl glycine receptor (Homo sapiens (Human))	BDBM50449579 (CHEMBL4172931) Show SMILES Cc1ccc(COc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:14| Show InChI InChI=1S/C21H20N2O2S/c1-15-6-8-16(9-7-15)14-25-18-5-2-4-17(12-18)13-19-20(24)23-10-3-11-26-21(23)22-19/h2,4-9,12-13H,3,10-11,14H2,1H3/b19-13-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at recombinant human GPR18 expressed in CHO cells assessed as increase in beta-arrestin recruitment incubated for 60 mins measured f...				Eur J Med Chem 155: 381-397 (2018) Article DOI: 10.1016/j.ejmech.2018.05.050 BindingDB Entry DOI: 10.7270/Q22F7R1X
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50449579 (CHEMBL4172931) Show SMILES Cc1ccc(COc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:14| Show InChI InChI=1S/C21H20N2O2S/c1-15-6-8-16(9-7-15)14-25-18-5-2-4-17(12-18)13-19-20(24)23-10-3-11-26-21(23)22-19/h2,4-9,12-13H,3,10-11,14H2,1H3/b19-13-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at recombinant human GPR55 expressed in CHO cells assessed as increase in beta-arrestin recruitment incubated for 60 mins measured f...				Eur J Med Chem 155: 381-397 (2018) Article DOI: 10.1016/j.ejmech.2018.05.050 BindingDB Entry DOI: 10.7270/Q22F7R1X
					More data for this Ligand-Target Pair