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BDBM50130086 9-Chloro-7-(2,5-dichloro-phenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole::CHEMBL311614

SMILES: Clc1ccc(Cl)c(c1)-c1cc(Cl)cc2CC3CCNCCN3c12

InChI Key: InChIKey=DLYJFSUJZUIZRA-UHFFFAOYSA-N

Data: 2 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50130086   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50130086
PNG
(9-Chloro-7-(2,5-dichloro-phenyl)-2,3,4,5,11,11a-he...)
Show SMILES Clc1ccc(Cl)c(c1)-c1cc(Cl)cc2CC3CCNCCN3c12
Show InChI InChI=1S/C18H17Cl3N2/c19-12-1-2-17(21)15(9-12)16-10-13(20)7-11-8-14-3-4-22-5-6-23(14)18(11)16/h1-2,7,9-10,14,22H,3-6,8H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
70n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130086
PNG
(9-Chloro-7-(2,5-dichloro-phenyl)-2,3,4,5,11,11a-he...)
Show SMILES Clc1ccc(Cl)c(c1)-c1cc(Cl)cc2CC3CCNCCN3c12
Show InChI InChI=1S/C18H17Cl3N2/c19-12-1-2-17(21)15(9-12)16-10-13(20)7-11-8-14-3-4-22-5-6-23(14)18(11)16/h1-2,7,9-10,14,22H,3-6,8H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
160n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair