BDBM50122054 8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]diazepine::CHEMBL845::N-Demethylclozapine::N-desmethyl-Clozapine
SMILES: Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1
InChI Key: InChIKey=JNNOSTQEZICQQP-UHFFFAOYSA-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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Muscarinic acetylcholine receptor M5 (Homo sapiens (Human)) | BDBM50122054 (8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Agonist activity at human muscarinic M5 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay | J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human)) | BDBM50122054 (8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 60.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg Curated by ChEMBL | Assay 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... | J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human)) | BDBM50122054 (8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Agonist activity at human muscarinic M3 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay | J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human)) | BDBM50122054 (8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Agonist activity at human muscarinic M2 receptor expressed in CHO-K1 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induce... | J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human)) | BDBM50122054 (8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Displacement of [3H]-4-DAMP from human muscarinic M4 receptor expressed in BHK-21 cells | J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human)) | BDBM50122054 (8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Agonist activity at human muscarinic M5 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay | J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human)) | BDBM50122054 (8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Agonist activity at human muscarinic M4 receptor expressed in BHK-21 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induce... | J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50122054 (8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TCG Lifesciences Ltd. Curated by ChEMBL | Assay Description Inhibition of human ERG | Eur J Med Chem 46: 618-30 (2011) Article DOI: 10.1016/j.ejmech.2010.11.042 BindingDB Entry DOI: 10.7270/Q2WQ052W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50122054 (8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human ERG channel | J Med Chem 52: 4266-76 (2009) Article DOI: 10.1021/jm900002x BindingDB Entry DOI: 10.7270/Q2MK6DT2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50122054 (8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Ltd Curated by ChEMBL | Assay Description Inhibition of human Potassium channel HERG expressed in mammalian cells | Bioorg Med Chem Lett 13: 2773-5 (2003) BindingDB Entry DOI: 10.7270/Q2QZ2BGZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human)) | BDBM50122054 (8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Agonist activity at human muscarinic M1 receptor expressed in CHO-K1 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay | J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K | |||||||||||
More data for this Ligand-Target Pair |