BDBM50122054 8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]diazepine::CHEMBL845::N-Demethylclozapine::N-desmethyl-Clozapine::USRE49340, Rank 7

SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1

InChI Key InChIKey=JNNOSTQEZICQQP-UHFFFAOYSA-N

Data  7 KI  4 IC50  7 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 18 hits for monomerid = 50122054   

TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataKi:  51nMAssay Description:Agonist activity at human muscarinic M5 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
University Of Strasburg

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataKi:  60.3nMAssay Description:Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 22 hrs by liquid scinti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Sumitomo Dainippon Pharma.

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataKi:  80nMAssay Description:Antagonist activity at human D1 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataKi:  90nMAssay Description:Agonist activity at human muscarinic M3 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataKi:  250nMAssay Description:Agonist activity at human muscarinic M2 receptor expressed in CHO-K1 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induce...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataKi:  290nMAssay Description:Displacement of [3H]-4-DAMP from human muscarinic M4 receptor expressed in BHK-21 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Sumitomo Dainippon Pharma.

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataKi:  489nMAssay Description:Antagonist activity at human D2 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataEC50:  400nMAssay Description:Agonist activity at human muscarinic M4 receptor expressed in BHK-21 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induce...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataIC50:  4.49E+3nMAssay Description:Inhibition of human ERG channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataIC50:  4.47E+3nMAssay Description:Inhibition of human Potassium channel HERG expressed in mammalian cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M5(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataEC50:  170nMAssay Description:Agonist activity at human muscarinic M5 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataIC50:  3.16E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
University Of Strasburg

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataEC50:  18nMAssay Description:Agonist activity at human muscarinic M1 receptor expressed in CHO-K1 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at muscarinic M2 receptor (unknown origin) expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataEC50:  670nMAssay Description:Agonist activity at muscarinic M3 receptor (unknown origin) expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at muscarinic M4 receptor (unknown origin) expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD-amino-acid oxidase(Homo sapiens (Human))
National Taiwan University

US Patent
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataIC50:  1.02E+5nMAssay Description:The DAAO enzymatic activity assay was modified according to the report of Oguri et al (Oguri, S., Screening of d-amino acid oxidase inhibitor by a ne...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
University Of Strasburg

Curated by ChEMBL
LigandPNGBDBM50122054(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Affinity DataEC50:  48nMAssay Description:Agonist activity at muscarinic M1 receptor (unknown origin) expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed