BDBM50007344 (S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide(ICI 199441)::(S)-2-(3,4-dichlorophenyl)-N-methyl-N-(1-phenyl-2-(pyrrolidin-1-yl)ethyl)acetamide::2-(3,4-Dichloro-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide::2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide::CHEMBL38576::ICI-199441
SMILES: CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChI Key: InChIKey=AEJOEPSMZCEYJN-HXUWFJFHSA-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)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand | Bioorg Med Chem Lett 15: 2647-52 (2005) Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description In vitro binding affinity for human kappa opioid receptor was determined by using [3H]-diprenorphine as radioligand | Bioorg Med Chem Lett 15: 1279-82 (2005) Article DOI: 10.1016/j.bmcl.2005.01.038 BindingDB Entry DOI: 10.7270/Q2QF8SDJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO-K1 cells | Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.0540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593 | Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO-K1 cells | Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand | Bioorg Med Chem Lett 15: 2647-52 (2005) Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand | Bioorg Med Chem Lett 15: 2647-52 (2005) Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO-K1 cells | Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Urotensin II receptor (Homo sapiens (Human)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity to human urotensin2 receptor | Bioorg Med Chem Lett 18: 3716-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.058 BindingDB Entry DOI: 10.7270/Q2RN37NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Tested for inhibitory concentration against [3H]U-69593 binding at sites of kappa-opioid receptor in guinea pig brain membrane | J Med Chem 37: 2856-64 (1994) BindingDB Entry DOI: 10.7270/Q2513ZVF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated mouse vas deferens (MVD) preparation. | J Med Chem 39: 1729-35 (1996) Article DOI: 10.1021/jm950813b BindingDB Entry DOI: 10.7270/Q27S7PFG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Agonist activity at kappa opioid receptor (unknown origin) | Bioorg Med Chem Lett 18: 3716-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.058 BindingDB Entry DOI: 10.7270/Q2RN37NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate | Bioorg Med Chem Lett 15: 2647-52 (2005) Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]diprenorphine as radio ligand | Bioorg Med Chem Lett 15: 2647-52 (2005) Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor transfected in CHO cells by [35S]GTP-gamma-S binding assay | Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated guinea pig longitudinal ileal muscle (GPI) preparation. | J Med Chem 39: 1729-35 (1996) Article DOI: 10.1021/jm950813b BindingDB Entry DOI: 10.7270/Q27S7PFG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Tested for inhibitory concentration against [3H]DPDPE binding at sites of delta-opioid receptor in guinea pig brain membrane | J Med Chem 37: 2856-64 (1994) BindingDB Entry DOI: 10.7270/Q2513ZVF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Tested for inhibitory concentration against [3H]DAMGO binding at sites of mu-opioid receptor in guinea pig brain membrane | J Med Chem 37: 2856-64 (1994) BindingDB Entry DOI: 10.7270/Q2513ZVF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals Curated by ChEMBL | Assay Description Compound was evaluated for the Opioid receptor kappa 1 affinity using guinea pig brain membranes. | J Med Chem 34: 181-9 (1991) BindingDB Entry DOI: 10.7270/Q27080CR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50007344 ((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity against opioid receptor kappa, in guinea pig brain membrane, using [3H]bremazocine as the radioligand. | J Med Chem 34: 3149-58 (1991) BindingDB Entry DOI: 10.7270/Q2028S53 | |||||||||||
More data for this Ligand-Target Pair |