Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 341.7 BDBM50449595

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))	BDBM50449595 (CHEMBL4169940) Show SMILES CN1C(=N)NC(=O)\C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C18H16ClN3O2/c1-22-16(17(23)21-18(22)20)10-13-3-2-4-15(9-13)24-11-12-5-7-14(19)8-6-12/h2-10H,11H2,1H3,(H2,20,21,23)/b16-10-	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))	BDBM50449595 (CHEMBL4169940) Show SMILES CN1C(=N)NC(=O)\C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C18H16ClN3O2/c1-22-16(17(23)21-18(22)20)10-13-3-2-4-15(9-13)24-11-12-5-7-14(19)8-6-12/h2-10H,11H2,1H3,(H2,20,21,23)/b16-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.28E+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))	BDBM50449595 (CHEMBL4169940) Show SMILES CN1C(=N)NC(=O)\C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C18H16ClN3O2/c1-22-16(17(23)21-18(22)20)10-13-3-2-4-15(9-13)24-11-12-5-7-14(19)8-6-12/h2-10H,11H2,1H3,(H2,20,21,23)/b16-10-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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))	BDBM50449595 (CHEMBL4169940) Show SMILES CN1C(=N)NC(=O)\C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C18H16ClN3O2/c1-22-16(17(23)21-18(22)20)10-13-3-2-4-15(9-13)24-11-12-5-7-14(19)8-6-12/h2-10H,11H2,1H3,(H2,20,21,23)/b16-10-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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))	BDBM50449595 (CHEMBL4169940) Show SMILES CN1C(=N)NC(=O)\C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C18H16ClN3O2/c1-22-16(17(23)21-18(22)20)10-13-3-2-4-15(9-13)24-11-12-5-7-14(19)8-6-12/h2-10H,11H2,1H3,(H2,20,21,23)/b16-10-	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))	BDBM50449595 (CHEMBL4169940) Show SMILES CN1C(=N)NC(=O)\C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C18H16ClN3O2/c1-22-16(17(23)21-18(22)20)10-13-3-2-4-15(9-13)24-11-12-5-7-14(19)8-6-12/h2-10H,11H2,1H3,(H2,20,21,23)/b16-10-	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