BDBM50379695 CHEMBL2010898

SMILES: CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12

InChI Key: InChIKey=VMWBKOHAYXYOPX-UHFFFAOYSA-N

Data: 4 KI  6 IC50

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 10 hits for monomerid = 50379695   

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 2 (Homo sapiens (Human))	BDBM50379695 (CHEMBL2010898) Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11| Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins				Bioorg Med Chem Lett 22: 2604-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.121 BindingDB Entry DOI: 10.7270/Q2FN1765
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50379695 (CHEMBL2010898) Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11| Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from rat recombinant CB2 receptor expressed in HEK293 cells after 90 mins				Bioorg Med Chem Lett 22: 2604-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.121 BindingDB Entry DOI: 10.7270/Q2FN1765
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50379695 (CHEMBL2010898) Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11| Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from rat recombinant CB1 receptor expressed in CHO cells after 90 mins				Bioorg Med Chem Lett 22: 2604-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.121 BindingDB Entry DOI: 10.7270/Q2FN1765
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50379695 (CHEMBL2010898) Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11| Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells after 90 mins				Bioorg Med Chem Lett 22: 2604-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.121 BindingDB Entry DOI: 10.7270/Q2FN1765
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50379695 (CHEMBL2010898) Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11| Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at rat recombinant CB2 receptor expressed in HEK293 cells co-expressing chimeric Gaq/o protein by FLIPR assay by FLIPR assay				Bioorg Med Chem Lett 22: 2604-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.121 BindingDB Entry DOI: 10.7270/Q2FN1765
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50379695 (CHEMBL2010898) Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11| Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70.8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells co-expressing chimeric Gaq/o protein by FLIPR assay				Bioorg Med Chem Lett 22: 2604-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.121 BindingDB Entry DOI: 10.7270/Q2FN1765
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50379695 (CHEMBL2010898) Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11| Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at rat recombinant CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 mins ...				Bioorg Med Chem Lett 22: 2604-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.121 BindingDB Entry DOI: 10.7270/Q2FN1765
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50379695 (CHEMBL2010898) Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11| Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 min...				Bioorg Med Chem Lett 22: 2604-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.121 BindingDB Entry DOI: 10.7270/Q2FN1765
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50379695 (CHEMBL2010898) Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11| Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.33	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at rat recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 mins ...				Bioorg Med Chem Lett 22: 2604-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.121 BindingDB Entry DOI: 10.7270/Q2FN1765
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50379695 (CHEMBL2010898) Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11| Show InChI InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 min...				Bioorg Med Chem Lett 22: 2604-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.121 BindingDB Entry DOI: 10.7270/Q2FN1765
					More data for this Ligand-Target Pair