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BDBM50217974 CHEMBL55207

SMILES: Cc1cc2CCN(C(=O)Nc3ccc(Oc4cnccc4Cl)nc3)c2cc1Cl

InChI Key: InChIKey=AGPTZOURDHRCAS-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 = 50217974   
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))
BDBM50217974
PNG
(CHEMBL55207)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cnccc4Cl)nc3)c2cc1Cl
Show InChI InChI=1S/C20H16Cl2N4O2/c1-12-8-13-5-7-26(17(13)9-16(12)22)20(27)25-14-2-3-19(24-10-14)28-18-11-23-6-4-15(18)21/h2-4,6,8-11H,5,7H2,1H3,(H,25,27)
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PubMed
0.501n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine


Bioorg Med Chem Lett 10: 1863-6 (2000)


BindingDB Entry DOI: 10.7270/Q2X63Q4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50217974
PNG
(CHEMBL55207)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cnccc4Cl)nc3)c2cc1Cl
Show InChI InChI=1S/C20H16Cl2N4O2/c1-12-8-13-5-7-26(17(13)9-16(12)22)20(27)25-14-2-3-19(24-10-14)28-18-11-23-6-4-15(18)21/h2-4,6,8-11H,5,7H2,1H3,(H,25,27)
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PubMed
13n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-HT2B receptor of HEK293 cells by displacement of [3H]5-HT


Bioorg Med Chem Lett 10: 1863-6 (2000)


BindingDB Entry DOI: 10.7270/Q2X63Q4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50217974
PNG
(CHEMBL55207)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cnccc4Cl)nc3)c2cc1Cl
Show InChI InChI=1S/C20H16Cl2N4O2/c1-12-8-13-5-7-26(17(13)9-16(12)22)20(27)25-14-2-3-19(24-10-14)28-18-11-23-6-4-15(18)21/h2-4,6,8-11H,5,7H2,1H3,(H,25,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
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PC sid
UniChem

Patents


Similars

PubMed
16n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2A receptor of HEK293 cells by displacement of [3H]ketanserin


Bioorg Med Chem Lett 10: 1863-6 (2000)


BindingDB Entry DOI: 10.7270/Q2X63Q4P
More data for this
Ligand-Target Pair