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BDBM50476481 CHEMBL395059

SMILES: COc1ccc(cc1OCCN1CCC(C)CC1)N1C(C)c2cccc(Cl)c2C1=O

InChI Key: InChIKey=MPRNTKMGUHUBMV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50476481   
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 2C


(Homo sapiens (Human))
BDBM50476481
PNG
(CHEMBL395059)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1C(C)c2cccc(Cl)c2C1=O
Show InChI InChI=1S/C24H29ClN2O3/c1-16-9-11-26(12-10-16)13-14-30-22-15-18(7-8-21(22)29-3)27-17(2)19-5-4-6-20(25)23(19)24(27)28/h4-8,15-17H,9-14H2,1-3H3
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 428-33 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.029
BindingDB Entry DOI: 10.7270/Q2TX3J4X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50476481
PNG
(CHEMBL395059)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1C(C)c2cccc(Cl)c2C1=O
Show InChI InChI=1S/C24H29ClN2O3/c1-16-9-11-26(12-10-16)13-14-30-22-15-18(7-8-21(22)29-3)27-17(2)19-5-4-6-20(25)23(19)24(27)28/h4-8,15-17H,9-14H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
200n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5HT2B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 428-33 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.029
BindingDB Entry DOI: 10.7270/Q2TX3J4X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50476481
PNG
(CHEMBL395059)
Show SMILES COc1ccc(cc1OCCN1CCC(C)CC1)N1C(C)c2cccc(Cl)c2C1=O
Show InChI InChI=1S/C24H29ClN2O3/c1-16-9-11-26(12-10-16)13-14-30-22-15-18(7-8-21(22)29-3)27-17(2)19-5-4-6-20(25)23(19)24(27)28/h4-8,15-17H,9-14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 428-33 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.029
BindingDB Entry DOI: 10.7270/Q2TX3J4X
More data for this
Ligand-Target Pair