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BDBM50086060 5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid (4-pyridin-3-yl-phenyl)-amide::CHEMBL278267

SMILES: COc1cc2CCN(C(=O)Nc3ccc(cc3)-c3cccnc3)c2cc1C(F)(F)F

InChI Key: InChIKey=XMPCLHRCNNVLNT-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 = 50086060   
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 2B


(Homo sapiens (Human))
BDBM50086060
PNG
(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3ccc(cc3)-c3cccnc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H18F3N3O2/c1-30-20-11-15-8-10-28(19(15)12-18(20)22(23,24)25)21(29)27-17-6-4-14(5-7-17)16-3-2-9-26-13-16/h2-7,9,11-13H,8,10H2,1H3,(H,27,29)
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PC cid
PC sid
UniChem

Similars

PubMed
10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinities towards human cloned 5-hydroxytryptamine 2B receptor in HEK293 cells using [3H]5-HT as radioligand.


J Med Chem 43: 1123-34 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q23X85V5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50086060
PNG
(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3ccc(cc3)-c3cccnc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H18F3N3O2/c1-30-20-11-15-8-10-28(19(15)12-18(20)22(23,24)25)21(29)27-17-6-4-14(5-7-17)16-3-2-9-26-13-16/h2-7,9,11-13H,8,10H2,1H3,(H,27,29)
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PC sid
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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 receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.


J Med Chem 43: 1123-34 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q23X85V5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50086060
PNG
(5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-c...)
Show SMILES COc1cc2CCN(C(=O)Nc3ccc(cc3)-c3cccnc3)c2cc1C(F)(F)F
Show InChI InChI=1S/C22H18F3N3O2/c1-30-20-11-15-8-10-28(19(15)12-18(20)22(23,24)25)21(29)27-17-6-4-14(5-7-17)16-3-2-9-26-13-16/h2-7,9,11-13H,8,10H2,1H3,(H,27,29)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PubMed
3.98E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine receptor 2A in HEK293 cells, using [3H]ketanserin as radioligand.


J Med Chem 43: 1123-34 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q23X85V5
More data for this
Ligand-Target Pair