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BDBM50217985 CHEMBL52308

SMILES: Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nn3)c2cc1Cl

InChI Key: InChIKey=NGVBNWYAMVLDBY-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 = 50217985   
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))
BDBM50217985
PNG
(CHEMBL52308)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nn3)c2cc1Cl
Show InChI InChI=1S/C20H18ClN5O2/c1-12-10-14-7-9-26(16(14)11-15(12)21)20(27)23-18-5-6-19(25-24-18)28-17-4-3-8-22-13(17)2/h3-6,8,10-11H,7,9H2,1-2H3,(H,23,24,27)
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PC cid
PC sid
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Similars

PubMed
2n/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))
BDBM50217985
PNG
(CHEMBL52308)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nn3)c2cc1Cl
Show InChI InChI=1S/C20H18ClN5O2/c1-12-10-14-7-9-26(16(14)11-15(12)21)20(27)23-18-5-6-19(25-24-18)28-17-4-3-8-22-13(17)2/h3-6,8,10-11H,7,9H2,1-2H3,(H,23,24,27)
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PubMed
158n/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))
BDBM50217985
PNG
(CHEMBL52308)
Show SMILES Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nn3)c2cc1Cl
Show InChI InChI=1S/C20H18ClN5O2/c1-12-10-14-7-9-26(16(14)11-15(12)21)20(27)23-18-5-6-19(25-24-18)28-17-4-3-8-22-13(17)2/h3-6,8,10-11H,7,9H2,1-2H3,(H,23,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.59E+3n/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