BDBM50033649 1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL110773
SMILES: CN1CCC23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc5O
InChI Key: InChIKey=PMHKQZZWOMGKBX-RNWHYHCYSA-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)) | BDBM50033649 (1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Stimulation of [35S]GTPgammaS binding to human recombinant MOR | J Med Chem 49: 5333-8 (2006) Article DOI: 10.1021/jm0604777 BindingDB Entry DOI: 10.7270/Q2WH2QSM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50033649 (1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Displacement of [3H]Cl-DPDPE from human recombinant DOR expressed in CHO cells | J Med Chem 49: 5333-8 (2006) Article DOI: 10.1021/jm0604777 BindingDB Entry DOI: 10.7270/Q2WH2QSM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50033649 (1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bristol Curated by ChEMBL | Assay Description Displacement of [3H]U-69593 from human recombinant KOR expressed in CHO cells | J Med Chem 49: 5333-8 (2006) Article DOI: 10.1021/jm0604777 BindingDB Entry DOI: 10.7270/Q2WH2QSM | |||||||||||
More data for this Ligand-Target Pair |