BDBM50304173 3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-yl]benzamide; oxalic acid::CHEMBL593215
SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)c(Cl)c1
InChI Key: InChIKey=QEKJEYIXQCJHHA-XGTKUTNFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50304173 (3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometry | Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50304173 (3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells by visible spectrophotometry | Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50304173 (3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from delta opioid receptor expressed in HEK293 cells by visible spectrophotometry | Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nociceptin receptor (Homo sapiens (Human)) | BDBM50304173 (3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Activity at NOP expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding | Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50304173 (3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...) | 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 | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Inverse agonist activity at mu opioid receptor expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding | Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50304173 (3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Inverse agonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding | Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50304173 (3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Inverse agonist activity at kappa opioid receptor expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding | Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50304173 (3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...) | 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 | 1.40 | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Activity at delta opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding | Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50304173 (3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...) | 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 | n/a | 2.30 | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Activity at mu opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding | Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nociceptin receptor (Homo sapiens (Human)) | BDBM50304173 (3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...) | 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 | 0.100 | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Inverse agonist activity at NOP expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding | Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50304173 (3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...) | 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 | 0.900 | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Activity at kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding | Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37 | |||||||||||
More data for this Ligand-Target Pair |