null
SMILES: CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12
InChI Key: InChIKey=ZUHIXXCLLBMBDW-UHFFFAOYSA-N
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 (MOUSE) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of [3H]-CP55940 from CB2 receptor of mouse spleen membranes | Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK cells by liquid scintillation counting | Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 11.5 | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... | J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 11.5 | 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 | J Med Chem 53: 295-315 (2010) Article DOI: 10.1021/jm901214q BindingDB Entry DOI: 10.7270/Q2KD1Z00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 11.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | Eur J Med Chem 46: 547-55 (2011) Article DOI: 10.1016/j.ejmech.2010.11.034 BindingDB Entry DOI: 10.7270/Q2CF9QCJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 15.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Binding affinity to CB2 receptor | J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ipsen Innovation Curated by ChEMBL | Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cell membrane by competitive displacement assay | Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Rattus norvegicus (rat)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of [3H]-CP55940 from CB1 receptor of rat brain | Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of [3H]-CP55940 from human CB1 receptor by liquid scintillation counting | Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 1.27E+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 | J Med Chem 53: 295-315 (2010) Article DOI: 10.1021/jm901214q BindingDB Entry DOI: 10.7270/Q2KD1Z00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 1.27E+3 | -8.17 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Abbott Laboratories | Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... | J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 2.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ipsen Innovation Curated by ChEMBL | Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cell membrane by competitive displacement assay | Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Displacement of [3H]CP 55940 from human CB1 receptor in cell free system | Eur J Med Chem 46: 547-55 (2011) Article DOI: 10.1016/j.ejmech.2010.11.034 BindingDB Entry DOI: 10.7270/Q2CF9QCJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Binding affinity to CB1 receptor | J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Binding affinity to CB1 receptor | Bioorg Med Chem 16: 1111-24 (2008) Article DOI: 10.1016/j.bmc.2007.10.087 BindingDB Entry DOI: 10.7270/Q208665C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | 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 coexpressing Galphaq/o5 assessed as calcium mobilization by FLIPR assay | J Med Chem 53: 295-315 (2010) Article DOI: 10.1021/jm901214q BindingDB Entry DOI: 10.7270/Q2KD1Z00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a |
Ipsen Innovation Curated by ChEMBL | Assay Description Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production | Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Binding affinity to CB2 receptor | Bioorg Med Chem 16: 1111-24 (2008) Article DOI: 10.1016/j.bmc.2007.10.087 BindingDB Entry DOI: 10.7270/Q208665C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Rattus norvegicus (Rat)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 216 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Curated by ChEMBL | Assay Description Inverse agonist activity at rat CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation | Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Rattus norvegicus (Rat)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 216 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals Curated by ChEMBL | Assay Description Inverse agonist activity at rat CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation | Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Ipsen Innovation Curated by ChEMBL | Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production | Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4 | |||||||||||
More data for this Ligand-Target Pair |