BDBM50253826 (-)-3-(4-Chlorophenyl)-N'-[(4-cyanophenyl)sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamidine::CHEMBL459730
SMILES: Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)C(=N)NS(=O)(=O)c1ccc(cc1)C#N
InChI Key: InChIKey=OQIBXTHHXDTIBJ-OAQYLSRUSA-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 1 (Homo sapiens (Human)) | BDBM50253826 ((-)-3-(4-Chlorophenyl)-N'-[(4-cyanophenyl)sulfonyl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Binding affinity to human CB1 receptor by [35S]GTPgammaS binding assay | J Med Chem 51: 5608-16 (2008) Article DOI: 10.1021/jm800329z BindingDB Entry DOI: 10.7270/Q2GT5N00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50253826 ((-)-3-(4-Chlorophenyl)-N'-[(4-cyanophenyl)sulfonyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Binding affinity to human CB2 receptor by [35S]GTPgammaS binding assay | J Med Chem 51: 5608-16 (2008) Article DOI: 10.1021/jm800329z BindingDB Entry DOI: 10.7270/Q2GT5N00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50253826 ((-)-3-(4-Chlorophenyl)-N'-[(4-cyanophenyl)sulfonyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >7.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor | J Med Chem 51: 5608-16 (2008) Article DOI: 10.1021/jm800329z BindingDB Entry DOI: 10.7270/Q2GT5N00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H2 Receptor (Homo sapiens (Human)) | BDBM50253826 ((-)-3-(4-Chlorophenyl)-N'-[(4-cyanophenyl)sulfonyl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [3H]tiotidine from human cloned histamine H2 receptor | J Med Chem 51: 5608-16 (2008) Article DOI: 10.1021/jm800329z BindingDB Entry DOI: 10.7270/Q2GT5N00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50253826 ((-)-3-(4-Chlorophenyl)-N'-[(4-cyanophenyl)sulfonyl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [3H]alpha methyl histamine from human cloned histamine H3 receptor | J Med Chem 51: 5608-16 (2008) Article DOI: 10.1021/jm800329z BindingDB Entry DOI: 10.7270/Q2GT5N00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50253826 ((-)-3-(4-Chlorophenyl)-N'-[(4-cyanophenyl)sulfonyl...) | 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 | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Binding affinity to human CB2 receptor by [35S]GTPgammaS binding assay | J Med Chem 51: 5608-16 (2008) Article DOI: 10.1021/jm800329z BindingDB Entry DOI: 10.7270/Q2GT5N00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50253826 ((-)-3-(4-Chlorophenyl)-N'-[(4-cyanophenyl)sulfonyl...) | 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 | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Binding affinity to human CB1 receptor by [35S]GTPgammaS binding assay | J Med Chem 51: 5608-16 (2008) Article DOI: 10.1021/jm800329z BindingDB Entry DOI: 10.7270/Q2GT5N00 | |||||||||||
More data for this Ligand-Target Pair |