BDBM50157795 (1S,2S,13R)-11-benzyl-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.0^{1,13}.0^{2,21}.0^{4,12}.0^{5,10}.0^{19,25}]pentacosa-4(12),5(10),15,17,19(25)-pentaene-2,16-diol::CHEMBL222647
SMILES: Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1Cc1ccccc1
InChI Key: InChIKey=ZCJXLAJPRZNEBL-OSLYBJCVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50157795 ((1S,2S,13R)-11-benzyl-22-(cyclopropylmethyl)-14-ox...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells | J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50157795 ((1S,2S,13R)-11-benzyl-22-(cyclopropylmethyl)-14-ox...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells | J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50157795 ((1S,2S,13R)-11-benzyl-22-(cyclopropylmethyl)-14-ox...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells | J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV | |||||||||||
More data for this Ligand-Target Pair |