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SMILES: CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccc(Cl)c(Cl)c1
InChI Key:
| 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)) | BDBM50586819 (CHEMBL5086370) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem | Article PubMed | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]-DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding as... | Citation and Details Article DOI: 10.1016/j.bmc.2021.116509 BindingDB Entry DOI: 10.7270/Q2FX7FCX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50586819 (CHEMBL5086370) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding a... | Citation and Details Article DOI: 10.1016/j.bmc.2021.116509 BindingDB Entry DOI: 10.7270/Q2FX7FCX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50586819 (CHEMBL5086370) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding assay | Citation and Details Article DOI: 10.1016/j.bmc.2021.116509 BindingDB Entry DOI: 10.7270/Q2FX7FCX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50586819 (CHEMBL5086370) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]-citalopram from human SERT expressed in HEK cell membrane assessed as inhibition constant by radioligand binding assay | Citation and Details Article DOI: 10.1016/j.bmc.2021.116509 BindingDB Entry DOI: 10.7270/Q2FX7FCX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50586819 (CHEMBL5086370) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | <5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]-Nisoxetine from human NET expressed in HEK cell membrane assessed as inhibition constant by radioligand binding assay | Citation and Details Article DOI: 10.1016/j.bmc.2021.116509 BindingDB Entry DOI: 10.7270/Q2FX7FCX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50586819 (CHEMBL5086370) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | <5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]-WIN35428 from human DAT expressed in HEK cell membrane assessed as inhibition constant by radioligand binding assay | Citation and Details Article DOI: 10.1016/j.bmc.2021.116509 BindingDB Entry DOI: 10.7270/Q2FX7FCX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50586819 (CHEMBL5086370) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]-DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells by radioligand binding assay | Citation and Details Article DOI: 10.1016/j.bmc.2021.116509 BindingDB Entry DOI: 10.7270/Q2FX7FCX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50586819 (CHEMBL5086370) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells by radioligand binding assay | Citation and Details Article DOI: 10.1016/j.bmc.2021.116509 BindingDB Entry DOI: 10.7270/Q2FX7FCX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50586819 (CHEMBL5086370) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in mouse HN9.10 cells by radioligand binding assay | Citation and Details Article DOI: 10.1016/j.bmc.2021.116509 BindingDB Entry DOI: 10.7270/Q2FX7FCX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
