BDBM50238615 CHEMBL264967::Thiophene-2-carboxylic Acid (2S,4aR,6aR,7R,9S,10aS,10bR)-7-Carbomethoxy-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-9-yl Ester::Thiophene-3-carboxylic Acid (2S,4aR,6aR,7R,9S,10aS,10bR)-7-Carbomethoxy-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-9-yl Ester
SMILES: COC(=O)[C@@H]1C[C@H](OC(=O)c2cccs2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
InChI Key: InChIKey=BZNOPGMFTTXDTR-KBJPRCPTSA-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)) | BDBM50238615 (CHEMBL264967 | Thiophene-2-carboxylic Acid (2S,4aR...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa Curated by ChEMBL | Assay Description Displacement of [125]OXY from mu opioid receptor | J Nat Prod 69: 914-8 (2006) Article DOI: 10.1021/np060094b BindingDB Entry DOI: 10.7270/Q28W3D22 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50238615 (CHEMBL264967 | Thiophene-2-carboxylic Acid (2S,4aR...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa Curated by ChEMBL | Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells | J Med Chem 51: 2421-31 (2008) Article DOI: 10.1021/jm701162g BindingDB Entry DOI: 10.7270/Q2DV1KR7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50238615 (CHEMBL264967 | Thiophene-2-carboxylic Acid (2S,4aR...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa Curated by ChEMBL | Assay Description Displacement of [125]OXY from kappa opioid receptor | J Nat Prod 69: 914-8 (2006) Article DOI: 10.1021/np060094b BindingDB Entry DOI: 10.7270/Q28W3D22 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50238615 (CHEMBL264967 | Thiophene-2-carboxylic Acid (2S,4aR...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa Curated by ChEMBL | Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay | J Med Chem 51: 2421-31 (2008) Article DOI: 10.1021/jm701162g BindingDB Entry DOI: 10.7270/Q2DV1KR7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50238615 (CHEMBL264967 | Thiophene-2-carboxylic Acid (2S,4aR...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa Curated by ChEMBL | Assay Description Displacement of [125]OXY from delta opioid receptor | J Nat Prod 69: 914-8 (2006) Article DOI: 10.1021/np060094b BindingDB Entry DOI: 10.7270/Q28W3D22 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50238615 (CHEMBL264967 | Thiophene-2-carboxylic Acid (2S,4aR...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa Curated by ChEMBL | Assay Description Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells | J Med Chem 51: 2421-31 (2008) Article DOI: 10.1021/jm701162g BindingDB Entry DOI: 10.7270/Q2DV1KR7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50238615 (CHEMBL264967 | Thiophene-2-carboxylic Acid (2S,4aR...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a |
The University of Iowa Curated by ChEMBL | Assay Description Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay | J Med Chem 51: 2421-31 (2008) Article DOI: 10.1021/jm701162g BindingDB Entry DOI: 10.7270/Q2DV1KR7 | |||||||||||
More data for this Ligand-Target Pair |