BDBM50061561 CHEMBL132966::Methyl-((E)-4-pyridin-3-yl-but-3-enyl)-amine::N-methyl-4-(pyridin-3-yl)but-3-en-1-amine

SMILES CNCC\C=C\c1cccnc1

InChI Key InChIKey=JUOSGGQXEBBCJB-GORDUTHDSA-N

Data  5 KI  4 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50061561   

TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50061561(CHEMBL132966 | Methyl-((E)-4-pyridin-3-yl-but-3-en...)
Show SMILES CNCC\C=C\c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
Affinity DataKi:  25nMAssay Description:Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2 from rat brain homogenatesMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50061561(CHEMBL132966 | Methyl-((E)-4-pyridin-3-yl-but-3-en...)
Show SMILES CNCC\C=C\c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
Affinity DataKi:  26nMAssay Description:Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor alpha4-beta2More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50061561(CHEMBL132966 | Methyl-((E)-4-pyridin-3-yl-but-3-en...)
Show SMILES CNCC\C=C\c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
Affinity DataKi:  26nMAssay Description:Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cellsMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Homo sapiens (Human))
Targacept Inc

Curated by ChEMBL
LigandPNGBDBM50061561(CHEMBL132966 | Methyl-((E)-4-pyridin-3-yl-but-3-en...)
Show SMILES CNCC\C=C\c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
Affinity DataKi:  8.00E+3nMAssay Description:Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cellsMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50061561(CHEMBL132966 | Methyl-((E)-4-pyridin-3-yl-but-3-en...)
Show SMILES CNCC\C=C\c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
Affinity DataKi:  3.60E+4nMAssay Description:Affinity for Nicotinic acetylcholine receptor alpha7More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50061561(CHEMBL132966 | Methyl-((E)-4-pyridin-3-yl-but-3-en...)
Show SMILES CNCC\C=C\c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
Affinity DataEC50:  4.30E+3nMAssay Description:Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype TE671 (muscle)More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50061561(CHEMBL132966 | Methyl-((E)-4-pyridin-3-yl-but-3-en...)
Show SMILES CNCC\C=C\c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
Affinity DataEC50:  4.60E+4nMAssay Description:Binding affinity against Nicotinic Acetylcholine Receptor was determined by measuring the displacement of [3H]-cytisine from a preparation of whole r...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50061561(CHEMBL132966 | Methyl-((E)-4-pyridin-3-yl-but-3-en...)
Show SMILES CNCC\C=C\c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
Affinity DataEC50:  730nMAssay Description:Functional potency for Nicotinic acetylcholine receptor alpha4-beta2 (rat brain)More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit delta(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50061561(CHEMBL132966 | Methyl-((E)-4-pyridin-3-yl-but-3-en...)
Show SMILES CNCC\C=C\c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
Affinity DataEC50: >1.00E+6nMAssay Description:Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor subtype PC12 (ganglionic)More data for this Ligand-Target Pair