BDBM86698 BENZTROPINE::CAS_132-17-2::CHEMBL116590::NSC_2344

SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1

InChI Key InChIKey=GIJXKZJWITVLHI-UHFFFAOYSA-N

Data  21 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 86698   

TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  0.231nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Glaxo Group Research Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  0.25nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(RAT)
Glaxo Group Research Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  0.710nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor(RABBIT)
Glaxo Group Research Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  0.890nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  1.10nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  1.10nMMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Mayo Foundation

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  1.10nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  1.40nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M4(Chick)
Glaxo Group Research Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  2.09nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  2.80nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(RAT)
Glaxo Group Research Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  3.80nMMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(RAT)
Glaxo Group Research Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  24nMMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  47nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  127nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Duquesne University

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  160nMMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(BOVINE)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  230nMMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi:  420nMMore data for this Ligand-Target Pair
TargetD(1A) dopamine receptor(BOVINE)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
College of France

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
College of France

Curated by PDSP Ki Database
LigandPNGBDBM86698(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair