BDBM50449587 CHEMBL4161205

SMILES: Clc1ccc(OCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1

InChI Key: InChIKey=VRNKURBMQYBXHO-HKWRFOASSA-N

Data: 2 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 6 hits for monomerid = 50449587   

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 1 (Homo sapiens (Human))	BDBM50449587 (CHEMBL4161205) Show SMILES Clc1ccc(OCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:17| Show InChI InChI=1S/C22H21ClN2O3S/c23-17-6-8-18(9-7-17)27-11-3-12-28-19-5-1-4-16(14-19)15-20-21(26)25-10-2-13-29-22(25)24-20/h1,4-9,14-15H,2-3,10-13H2/b20-15-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM50449587 (CHEMBL4161205) Show SMILES Clc1ccc(OCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:17| Show InChI InChI=1S/C22H21ClN2O3S/c23-17-6-8-18(9-7-17)27-11-3-12-28-19-5-1-4-16(14-19)15-20-21(26)25-10-2-13-29-22(25)24-20/h1,4-9,14-15H,2-3,10-13H2/b20-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50449587 (CHEMBL4161205) Show SMILES Clc1ccc(OCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:17| Show InChI InChI=1S/C22H21ClN2O3S/c23-17-6-8-18(9-7-17)27-11-3-12-28-19-5-1-4-16(14-19)15-20-21(26)25-10-2-13-29-22(25)24-20/h1,4-9,14-15H,2-3,10-13H2/b20-15-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
N-arachidonyl glycine receptor (Homo sapiens (Human))	BDBM50449587 (CHEMBL4161205) Show SMILES Clc1ccc(OCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:17| Show InChI InChI=1S/C22H21ClN2O3S/c23-17-6-8-18(9-7-17)27-11-3-12-28-19-5-1-4-16(14-19)15-20-21(26)25-10-2-13-29-22(25)24-20/h1,4-9,14-15H,2-3,10-13H2/b20-15-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM50449587 (CHEMBL4161205) Show SMILES Clc1ccc(OCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:17| Show InChI InChI=1S/C22H21ClN2O3S/c23-17-6-8-18(9-7-17)27-11-3-12-28-19-5-1-4-16(14-19)15-20-21(26)25-10-2-13-29-22(25)24-20/h1,4-9,14-15H,2-3,10-13H2/b20-15-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM50449587 (CHEMBL4161205) Show SMILES Clc1ccc(OCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:17| Show InChI InChI=1S/C22H21ClN2O3S/c23-17-6-8-18(9-7-17)27-11-3-12-28-19-5-1-4-16(14-19)15-20-21(26)25-10-2-13-29-22(25)24-20/h1,4-9,14-15H,2-3,10-13H2/b20-15-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.25E+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