BDBM50012149 CHEMBL3264446::US10118915, Compound 105::US9682966, 105
SMILES: COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1
InChI Key: InChIKey=AJYHHWYDOWTOKZ-HZPDHXFCSA-N
Data: 8 IC50
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)) | BDBM50012149 (CHEMBL3264446 | US10118915, Compound 105 | US96829...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | US Patent | n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | 25 |
The Scripps Research Institute US Patent | Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements. The carboxy terminus of the OPRK1 receptor has a 7 amino acid l... | US Patent US9682966 (2017) BindingDB Entry DOI: 10.7270/Q2610XHQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50012149 (CHEMBL3264446 | US10118915, Compound 105 | US96829...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Antagonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of U69593-stimulated [35S]-GTP[gammaS] bindin... | Bioorg Med Chem Lett 24: 2021-32 (2014) Article DOI: 10.1016/j.bmcl.2014.03.040 BindingDB Entry DOI: 10.7270/Q2222WBX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50012149 (CHEMBL3264446 | US10118915, Compound 105 | US96829...) | 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 | 343 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Antagonist activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]-GTP[gammaS] binding | Bioorg Med Chem Lett 24: 2021-32 (2014) Article DOI: 10.1016/j.bmcl.2014.03.040 BindingDB Entry DOI: 10.7270/Q2222WBX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50012149 (CHEMBL3264446 | US10118915, Compound 105 | US96829...) | 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 | 323 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra... | J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50012149 (CHEMBL3264446 | US10118915, Compound 105 | US96829...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | US Patent | n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute US Patent | Assay Description Well-known assay for kappa opioid receptor | US Patent US10118915 (2018) BindingDB Entry DOI: 10.7270/Q23J3G00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50012149 (CHEMBL3264446 | US10118915, Compound 105 | US96829...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5... | J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50012149 (CHEMBL3264446 | US10118915, Compound 105 | US96829...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Antagonist activity at GAL4-VP16-fused DOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra... | J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50012149 (CHEMBL3264446 | US10118915, Compound 105 | US96829...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Antagonist activity at human cloned delta opioid receptor expressed in CHO cells assessed as inhibition of SNC-80-stimulated [35S]-GTP[gammaS] bindin... | Bioorg Med Chem Lett 24: 2021-32 (2014) Article DOI: 10.1016/j.bmcl.2014.03.040 BindingDB Entry DOI: 10.7270/Q2222WBX | |||||||||||
More data for this Ligand-Target Pair |