BDBM50519778 CHEMBL4519310

SMILES: [O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F

InChI Key: InChIKey=HTKWVAWIVNAHFB-UHFFFAOYSA-N

Data: 2 KI  12 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 14 hits for monomerid = 50519778   

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))	BDBM50519778 (CHEMBL4519310) Show SMILES [O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F Show InChI InChI=1S/C22H15F3N2O2/c23-14-6-3-5-13(11-14)21-20(16-8-4-10-19(25)22(16)26-21)17(12-27(28)29)15-7-1-2-9-18(15)24/h1-11,17,26H,12H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1R receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation spectrometry analysis				J Med Chem 63: 542-568 (2020) Article DOI: 10.1021/acs.jmedchem.9b01142
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50519778 (CHEMBL4519310) Show SMILES [O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F Show InChI InChI=1S/C22H15F3N2O2/c23-14-6-3-5-13(11-14)21-20(16-8-4-10-19(25)22(16)26-21)17(12-27(28)29)15-7-1-2-9-18(15)24/h1-11,17,26H,12H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1R receptor expressed in CHO cell membranes after 60 mins by liquid scintillation spectrometry analysis				J Med Chem 63: 542-568 (2020) Article DOI: 10.1021/acs.jmedchem.9b01142
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50519778 (CHEMBL4519310) Show SMILES [O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F Show InChI InChI=1S/C22H15F3N2O2/c23-14-6-3-5-13(11-14)21-20(16-8-4-10-19(25)22(16)26-21)17(12-27(28)29)15-7-1-2-9-18(15)24/h1-11,17,26H,12H2	PDB NCI pathway 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	9.10	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Positive allosteric modulatory activity at human CB1R expressed in CHO-K1 cells assessed as increase in CP55940-induced inhibition of forskolin-stimu...				J Med Chem 63: 542-568 (2020) Article DOI: 10.1021/acs.jmedchem.9b01142
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50519778 (CHEMBL4519310) Show SMILES [O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F Show InChI InChI=1S/C22H15F3N2O2/c23-14-6-3-5-13(11-14)21-20(16-8-4-10-19(25)22(16)26-21)17(12-27(28)29)15-7-1-2-9-18(15)24/h1-11,17,26H,12H2	PDB NCI pathway 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	510	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Positive allosteric modulatory activity at human CB1R expressed in CHO-K1 cells assessed as increase in CP55940-induced beta-arrestin2 recruitment af...				J Med Chem 63: 542-568 (2020) Article DOI: 10.1021/acs.jmedchem.9b01142
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50519778 (CHEMBL4519310) Show SMILES [O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F Show InChI InChI=1S/C22H15F3N2O2/c23-14-6-3-5-13(11-14)21-20(16-8-4-10-19(25)22(16)26-21)17(12-27(28)29)15-7-1-2-9-18(15)24/h1-11,17,26H,12H2	PDB NCI pathway 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	3.90	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Allosteric agonist activity at human CB1R expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation after 90 mins by hi...				J Med Chem 63: 542-568 (2020) Article DOI: 10.1021/acs.jmedchem.9b01142
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50519778 (CHEMBL4519310) Show SMILES [O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F Show InChI InChI=1S/C22H15F3N2O2/c23-14-6-3-5-13(11-14)21-20(16-8-4-10-19(25)22(16)26-21)17(12-27(28)29)15-7-1-2-9-18(15)24/h1-11,17,26H,12H2	PDB NCI pathway 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
Northeastern University Curated by ChEMBL					Assay Description Allosteric agonist activity at human CB1R expressed in CHO-K1 cells assessed as increase in beta arrestin2 recruitment after 90 mins by pathhunter be...				J Med Chem 63: 542-568 (2020) Article DOI: 10.1021/acs.jmedchem.9b01142
					More data for this Ligand-Target Pair
Cannabinoid receptor (Rattus norvegicus (rat))	BDBM50519778 (CHEMBL4519310) Show SMILES [O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F Show InChI InChI=1S/C22H15F3N2O2/c23-14-6-3-5-13(11-14)21-20(16-8-4-10-19(25)22(16)26-21)17(12-27(28)29)15-7-1-2-9-18(15)24/h1-11,17,26H,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Positive allosteric modulatory activity at N-terminal GFP-tagged rat CB1R receptor expressed in HEK293 cells assessed as CP55940 EC50 for inhibition ...				J Med Chem 63: 542-568 (2020) Article DOI: 10.1021/acs.jmedchem.9b01142
					More data for this Ligand-Target Pair
Cannabinoid receptor (Rattus norvegicus (rat))	BDBM50519778 (CHEMBL4519310) Show SMILES [O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F Show InChI InChI=1S/C22H15F3N2O2/c23-14-6-3-5-13(11-14)21-20(16-8-4-10-19(25)22(16)26-21)17(12-27(28)29)15-7-1-2-9-18(15)24/h1-11,17,26H,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Positive allosteric modulatory activity at N-terminal GFP-tagged rat CB1R receptor expressed in HEK293 cells assessed as CP55940 EC50 for inhibition ...				J Med Chem 63: 542-568 (2020) Article DOI: 10.1021/acs.jmedchem.9b01142
					More data for this Ligand-Target Pair
Cannabinoid receptor (Rattus norvegicus (rat))	BDBM50519778 (CHEMBL4519310) Show SMILES [O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F Show InChI InChI=1S/C22H15F3N2O2/c23-14-6-3-5-13(11-14)21-20(16-8-4-10-19(25)22(16)26-21)17(12-27(28)29)15-7-1-2-9-18(15)24/h1-11,17,26H,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Positive allosteric modulatory activity at N-terminal GFP-tagged rat CB1R receptor expressed in HEK293 cells assessed as CP55940 EC50 for inhibition ...				J Med Chem 63: 542-568 (2020) Article DOI: 10.1021/acs.jmedchem.9b01142
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50519778 (CHEMBL4519310) Show SMILES [O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F Show InChI InChI=1S/C22H15F3N2O2/c23-14-6-3-5-13(11-14)21-20(16-8-4-10-19(25)22(16)26-21)17(12-27(28)29)15-7-1-2-9-18(15)24/h1-11,17,26H,12H2	PDB NCI pathway 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	3.50E+3	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Positive allosteric modulatory activity at human CB1R expressed in CHO-K1 cells assessed as increase in CP55940-induced beta arrestin2 recruitment af...				J Med Chem 63: 542-568 (2020) Article DOI: 10.1021/acs.jmedchem.9b01142
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50519778 (CHEMBL4519310) Show SMILES [O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F Show InChI InChI=1S/C22H15F3N2O2/c23-14-6-3-5-13(11-14)21-20(16-8-4-10-19(25)22(16)26-21)17(12-27(28)29)15-7-1-2-9-18(15)24/h1-11,17,26H,12H2	PDB NCI pathway 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	33	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in CHO cell membranes assessed as increase in G-protein coupling by measuring [35S]GTPgammaS binding...				J Med Chem 63: 542-568 (2020) Article DOI: 10.1021/acs.jmedchem.9b01142
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50519778 (CHEMBL4519310) Show SMILES [O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F Show InChI InChI=1S/C22H15F3N2O2/c23-14-6-3-5-13(11-14)21-20(16-8-4-10-19(25)22(16)26-21)17(12-27(28)29)15-7-1-2-9-18(15)24/h1-11,17,26H,12H2	PDB NCI pathway 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	1.70	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Positive allosteric modulatory activity at human CB1R expressed in CHO-K1 cells assessed as increase in CP55940-induced inhibition of forskolin-induc...				J Med Chem 63: 542-568 (2020) Article DOI: 10.1021/acs.jmedchem.9b01142
					More data for this Ligand-Target Pair
Cannabinoid receptor (Rattus norvegicus (rat))	BDBM50519778 (CHEMBL4519310) Show SMILES [O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F Show InChI InChI=1S/C22H15F3N2O2/c23-14-6-3-5-13(11-14)21-20(16-8-4-10-19(25)22(16)26-21)17(12-27(28)29)15-7-1-2-9-18(15)24/h1-11,17,26H,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Allosteric agonist activity at N-terminal GFP-tagged rat CB1R expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production a...				J Med Chem 63: 542-568 (2020) Article DOI: 10.1021/acs.jmedchem.9b01142
					More data for this Ligand-Target Pair
Cannabinoid receptor (Rattus norvegicus (rat))	BDBM50519778 (CHEMBL4519310) Show SMILES [O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F Show InChI InChI=1S/C22H15F3N2O2/c23-14-6-3-5-13(11-14)21-20(16-8-4-10-19(25)22(16)26-21)17(12-27(28)29)15-7-1-2-9-18(15)24/h1-11,17,26H,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Positive allosteric modulatory activity at N-terminal GFP-tagged rat CB1R receptor expressed in HEK293 cells assessed as CP55940 EC50 for inhibition ...				J Med Chem 63: 542-568 (2020) Article DOI: 10.1021/acs.jmedchem.9b01142
					More data for this Ligand-Target Pair