BDBM50037134 (+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,7aalpha-octahydro-1H-benzo[4,5]furo[3,2-e]isoquinolin-9-ol::(+/-)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,7aalpha-octahydro-1H-benzo[4,5]furo[3,2-e]isoquinolin-9-ol::(-)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,7aalpha-octahydro-1H-benzo[4,5]furo[3,2-e]isoquinolin-9-ol::(4aR,7aS,12bS)-3-Cyclopropylmethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-8-oxa-3-aza-benzo[d]fluoren-9-ol::CHEMBL104042
SMILES: Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
InChI Key: InChIKey=SQZBAUUHDXMUTO-FNHZYXHNSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description Displacement of [125I]OXY from human mu opioid receptor expressed in CHO cells | J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description Displacement of [125I]OXY from human kappa opioid receptor expressed in CHO cells | J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description Displacement of [125I]OXY from human kappa opioid receptor expressed in CHO cells | J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description In vivo binding affinity against mu opioid receptor was measured by using labeled ligand [3H]-Naloxone (0.5 nM) | J Med Chem 37: 3121-7 (1994) BindingDB Entry DOI: 10.7270/Q2PK0F6R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description In vivo binding affinity against kappa opioid receptor was measured by using labeled ligand [3H]-ethylketocyclazocine (1 nM) with 500 nM DADLE and 20... | J Med Chem 37: 3121-7 (1994) BindingDB Entry DOI: 10.7270/Q2PK0F6R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description Displacement of [125I]OXY from human delta opioid receptor expressed in CHO cells | J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description In vivo binding affinity against delta Opioid receptor was measured by using labeled ligand [3H]-DADLE (1 nM) with 4 nM sufentanil | J Med Chem 37: 3121-7 (1994) BindingDB Entry DOI: 10.7270/Q2PK0F6R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description In vivo binding affinity against sigma Opioid receptor was measured by using labeled ligand [3H]-SKF- 10,047 (1 nM) | J Med Chem 37: 3121-7 (1994) BindingDB Entry DOI: 10.7270/Q2PK0F6R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 399 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate | J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 399 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate | J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) | 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 | 2.70 | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Partial agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding after 3 hrs by liqu... | J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) | 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 | 0.220 | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description Binding affinity to human mu opioid receptor expressed in CHO cells | J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) | 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 | 20 | n/a | n/a | n/a | n/a | n/a |
National Taiwan University Curated by ChEMBL | Assay Description Binding affinity to human delta opioid receptor expressed in CHO cells | J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z | |||||||||||
More data for this Ligand-Target Pair |