BindingDB PrimarySearch

BDBM50389939 CHEMBL1553629

SMILES: CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1

InChI Key: InChIKey=AHFZDNYNXFMRFQ-UHFFFAOYSA-N

Data: 5 IC50 8 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50389939
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50389939 (CHEMBL1553629) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	853	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 cells assessed as inhibition of CP55940-induced calcium mobilization incubated fo...				Bioorg Med Chem 23: 2195-203 (2015) Article DOI: 10.1016/j.bmc.2015.02.058 BindingDB Entry DOI: 10.7270/Q29888PG
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50389939 (CHEMBL1553629) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Activity at hemagglutinin-tagged human CB1 receptor expressed in HEK293 cells assessed as effect on forskolin-induced cAMP accumulation in presence o...				J Med Chem 58: 5979-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00579 BindingDB Entry DOI: 10.7270/Q2PG1TG7
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50389939 (CHEMBL1553629) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Activity at hemagglutinin-tagged human CB1 receptor expressed in HEK293 cells assessed as effect on forskolin-induced cAMP accumulation in presence o...				J Med Chem 58: 5979-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00579 BindingDB Entry DOI: 10.7270/Q2PG1TG7
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50389939 (CHEMBL1553629) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Activity at hemagglutinin-tagged human CB1 receptor expressed in HEK293 cells assessed as effect on forskolin-induced cAMP accumulation after 10 mins...				J Med Chem 58: 5979-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00579 BindingDB Entry DOI: 10.7270/Q2PG1TG7
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50389939 (CHEMBL1553629) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Activity at hemagglutinin-tagged human CB1 receptor expressed in HEK293 cells assessed as effect on forskolin-induced cAMP accumulation after 10 mins...				J Med Chem 58: 5979-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00579 BindingDB Entry DOI: 10.7270/Q2PG1TG7
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50389939 (CHEMBL1553629) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding				J Med Chem 55: 5627-31 (2012) Article DOI: 10.1021/jm201485c BindingDB Entry DOI: 10.7270/Q27W6D8K
Sapienza Universit£ di Roma Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50389939 (CHEMBL1553629) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	853	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Allosteric antagonist activity at human CB1 receptor by Ca2+ assay				J Med Chem 62: 9806-9823 (2019) Article DOI: 10.1021/acs.jmedchem.9b01161
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50389939 (CHEMBL1553629) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	324	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Negative allosteric modulator activity at human CB1R expressed in CHO-K1 cells assessed as effect on CP55,940-induced inhibition of forskolin-induced...				J Med Chem 59: 44-60 (2016) Article DOI: 10.1021/acs.jmedchem.5b01303 BindingDB Entry DOI: 10.7270/Q2Z03C57
Dalhousie University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50389939 (CHEMBL1553629) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Negative allosteric modulator activity at human CB1R expressed in CHO-K1 cells assessed as inhibition of CP55,940-induced beta-arrestin recruitment p...				J Med Chem 59: 44-60 (2016) Article DOI: 10.1021/acs.jmedchem.5b01303 BindingDB Entry DOI: 10.7270/Q2Z03C57
Dalhousie University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50389939 (CHEMBL1553629) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	83	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Positive allosteric modulator activity at human CB1R expressed in CHO cells assessed as enhanced binding of [3H]CP55,940 after 60 mins by liquid scin...				J Med Chem 59: 44-60 (2016) Article DOI: 10.1021/acs.jmedchem.5b01303 BindingDB Entry DOI: 10.7270/Q2Z03C57
Dalhousie University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50389939 (CHEMBL1553629) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Aberdeen Curated by ChEMBL					Assay Description Negative allosteric modulation of human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940 induced beta arrestin recruitment pr...				Bioorg Med Chem Lett 26: 4403-4407 (2016) Article DOI: 10.1016/j.bmcl.2016.08.018
University of Aberdeen Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50389939 (CHEMBL1553629) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	853	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Allosteric antagonist activity at human CB1 receptor by Ca2+ assay				J Med Chem 62: 9806-9823 (2019) Article DOI: 10.1021/acs.jmedchem.9b01161
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50389939 (CHEMBL1553629) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding				J Med Chem 55: 5627-31 (2012) Article DOI: 10.1021/jm201485c BindingDB Entry DOI: 10.7270/Q27W6D8K
Sapienza Universit£ di Roma Curated by ChEMBL					More data for this Ligand-Target Pair