BDBM50278336 (1S,5R,13R,17S)-10-carbamoyl-4-(cyclopropylmethyl)-17-hydroxy-4-methyl-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-4-ium iodide::CHEMBL511461
SMILES: C[N+]1(CC2CC2)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5C(N)=O
InChI Key: InChIKey=HRLBITJBWAMBFC-XDKTWKSGSA-O
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50278336 ((1S,5R,13R,17S)-10-carbamoyl-4-(cyclopropylmethyl)...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding | Bioorg Med Chem Lett 19: 2289-94 (2009) Article DOI: 10.1016/j.bmcl.2009.02.078 BindingDB Entry DOI: 10.7270/Q200030V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50278336 ((1S,5R,13R,17S)-10-carbamoyl-4-(cyclopropylmethyl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting | Bioorg Med Chem Lett 19: 2289-94 (2009) Article DOI: 10.1016/j.bmcl.2009.02.078 BindingDB Entry DOI: 10.7270/Q200030V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50278336 ((1S,5R,13R,17S)-10-carbamoyl-4-(cyclopropylmethyl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting | Bioorg Med Chem Lett 19: 2289-94 (2009) Article DOI: 10.1016/j.bmcl.2009.02.078 BindingDB Entry DOI: 10.7270/Q200030V | |||||||||||
More data for this Ligand-Target Pair |