BDBM50254512 (1S,5R,13R,14S,17S)-4-(cyclopropylmethyl)-14,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10-carboxamide::CHEMBL511588
SMILES: NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](O)CC[C@@]35O
InChI Key: InChIKey=YQOPEESTHCLTGK-MXUFIIGOSA-N
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)) | BDBM50254512 ((1S,5R,13R,14S,17S)-4-(cyclopropylmethyl)-14,17-di...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50254512 ((1S,5R,13R,14S,17S)-4-(cyclopropylmethyl)-14,17-di...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50254512 ((1S,5R,13R,14S,17S)-4-(cyclopropylmethyl)-14,17-di...) | 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 form human delta opioid receptor expressed in CHO cells | Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K | |||||||||||
More data for this Ligand-Target Pair |