BDBM50212296 (1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexacyclo[12.7.3.0^{1,13}.0^{3,11}.0^{5,10}.0^{16,21}]tetracosa-3(11),5(10),6,8,16(21),17,19-heptaen-19-ol::CHEMBL226166
SMILES: Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51
InChI Key: InChIKey=HUJCCTOSCFPUOT-HDYLNDSGSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50212296 ((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane | J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50212296 ((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane | J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50212296 ((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane | J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50212296 ((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 92 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Agonist activity at human mu opioid receptor expressed in CHO membrane assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50212296 ((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Antagonist activity at human kappa opioid receptor expressed in CHO membrane assessed as inhibition of U50488-induced [35S]GTPgammaS binding | J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50212296 ((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Antagonist activity at human delta opioid receptor expressed in CHO membrane assessed as inhibition of SNC80-induced [35S]GTPgammaS binding | J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50212296 ((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Antagonist activity at human mu opioid receptor expressed in CHO membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding | J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50212296 ((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.160 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Agonist activity at human delta opioid receptor expressed in CHO membrane assessed as stimulation of [35S]GTP-gamma-S binding | J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50212296 ((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 61 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in CHO membrane assessed as stimulation of [35S]GTP-gamma-S binding | J Med Chem 50: 2747-51 (2007) Article DOI: 10.1021/jm0701674 BindingDB Entry DOI: 10.7270/Q29Z94M6 | |||||||||||
More data for this Ligand-Target Pair |