BDBM50027058 (1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2'',3'':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester::(1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester::2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester::CHEMBL31410::corynantheine
SMILES: COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
InChI Key: InChIKey=BLGXFZZNTVWLAY-DKJBZYCGSA-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 |
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Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Binding constant measured against Alpha-1A adrenergic receptor in human prostate; ++:moderately active | Bioorg Med Chem Lett 15: 657-64 (2005) Article DOI: 10.1016/j.bmcl.2004.11.032 BindingDB Entry DOI: 10.7270/Q2SN08GW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Toxikologie Curated by ChEMBL | Assay Description Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant) | J Med Chem 36: 1136-45 (1993) BindingDB Entry DOI: 10.7270/Q2GM87X6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of [3H]prazosin binding to human Alpha-1A adrenergic receptor expressed in CHO cells | J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2C adrenergic receptor (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 161 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of [3H]rauwolscine to CHO cells expressing the human Alpha-2C adrenergic receptor | J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 253 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of [3H]prazosin binding to human Alpha-1D adrenergic receptor expressed in CHO cells | J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2B adrenergic receptor (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 455 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2B adrenergic receptor | J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 517 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of [3H]prazosin binding to human Alpha-1B adrenergic receptor expressed in CHO cells | J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2A adrenergic receptor | J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium channel (RAT) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of [3H]nitrendipine binding to membrane homogenates of rat cardiac muscle. | J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The ability to displace [3H]clonidine from the Alpha-2 adrenergic receptor was determined in rat brain membrane | J Med Chem 25: 1389-401 (1982) BindingDB Entry DOI: 10.7270/Q2251MCQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of specific [3H]clonidine binding (0.4 nM) to rat brain membranes Alpha-2 adrenergic receptor | J Med Chem 27: 495-503 (1984) BindingDB Entry DOI: 10.7270/Q24B31WH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of specific [3H]prazosin binding (0.2 nM) to rat brain membranes alpha1 adrenoceptor. | J Med Chem 27: 495-503 (1984) BindingDB Entry DOI: 10.7270/Q24B31WH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | n/a | n/a | n/a | 6.40E+5 | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Dissociation constant in low affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptor | Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ05ZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | n/a | n/a | 3.40E+5 | n/a | n/a | n/a | n/a | 5.0 | n/a | |
TBA | Assay Description Alpha-2 adrenergic receptor binding activity was determined displacement of [3H]-yohimbine in 50 mM phosphate buffer pH 5.0/Tween 20 where the polyme... | Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ05ZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | n/a | n/a | 2.11E+5 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Compound was evaluated for the displacement of [3H]yohimbine in acetonitrile/acetic acid anti-corynanthine MIPs for Alpha-2 adrenergic receptor | Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ05ZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | n/a | n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Dissociation constant in low affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptor | Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ05ZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | n/a | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Dissociation constant in high affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptor | Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ05ZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | n/a | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Dissociation constant in high affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptor | Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ05ZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | n/a | n/a | n/a | 2.50E+6 | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Dissociation constant in low affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptor | Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ05ZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | n/a | n/a | n/a | 1.30E+6 | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Dissociation constant in low affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptor | Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ05ZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | n/a | n/a | 8.71E+5 | n/a | n/a | n/a | n/a | 5.0 | n/a | |
TBA | Assay Description Compound was evaluated for the displacement of [3H]yohimbine in 50 mM phosphate buffer pH 5.0/Tween 20 where the polymer is anti-yohimbin MIPs for Al... | Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ05ZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | n/a | n/a | 1.04E+6 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Compound was evaluated for the displacement of [3H]yohimbine in acetonitrile/acetic acid where the polymer is anti-yohimbin MIPs for Alpha-2 adrenerg... | Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ05ZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | n/a | n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Dissociation constant in high affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptor | Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ05ZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >5.64E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois Curated by ChEMBL | Assay Description Inhibition of HIV1 RT | J Nat Prod 54: 143-54 Article DOI: 10.1021/np50073a012 BindingDB Entry DOI: 10.7270/Q2NK3HTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (Homo sapiens (Human)) | BDBM50027058 ((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | n/a | n/a | n/a | 3.30E+5 | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Dissociation constant in high affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptor | Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ05ZJ | |||||||||||
More data for this Ligand-Target Pair |