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BDBM50406757 CHEMBL289489

SMILES: CC(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1

InChI Key: InChIKey=MPSISMSDHLPFGV-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50406757   
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
Serotonin 1d (5-HT1d) receptor


(Sus scrofa)
BDBM50406757
PNG
(CHEMBL289489)
Show SMILES CC(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1
Show InChI InChI=1S/C21H21N5O2/c1-13(27)24-17-5-2-14(3-6-17)10-20-25-21(28-26-20)15-4-7-19-18(11-15)16(8-9-22)12-23-19/h2-7,11-12,23H,8-10,22H2,1H3,(H,24,27)
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.501n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]5-HT binding to 5-hydroxytryptamine 1D receptor in pig caudate membrane


J Med Chem 36: 1529-38 (1993)


BindingDB Entry DOI: 10.7270/Q22V2HB9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50406757
PNG
(CHEMBL289489)
Show SMILES CC(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1
Show InChI InChI=1S/C21H21N5O2/c1-13(27)24-17-5-2-14(3-6-17)10-20-25-21(28-26-20)15-4-7-19-18(11-15)16(8-9-22)12-23-19/h2-7,11-12,23H,8-10,22H2,1H3,(H,24,27)
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from pig cortex 5-hydroxytryptamine 1A receptor


J Med Chem 36: 1529-38 (1993)


BindingDB Entry DOI: 10.7270/Q22V2HB9
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50406757
PNG
(CHEMBL289489)
Show SMILES CC(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1
Show InChI InChI=1S/C21H21N5O2/c1-13(27)24-17-5-2-14(3-6-17)10-20-25-21(28-26-20)15-4-7-19-18(11-15)16(8-9-22)12-23-19/h2-7,11-12,23H,8-10,22H2,1H3,(H,24,27)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a<1.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL




J Med Chem 36: 1529-38 (1993)


BindingDB Entry DOI: 10.7270/Q22V2HB9
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50406757
PNG
(CHEMBL289489)
Show SMILES CC(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1
Show InChI InChI=1S/C21H21N5O2/c1-13(27)24-17-5-2-14(3-6-17)10-20-25-21(28-26-20)15-4-7-19-18(11-15)16(8-9-22)12-23-19/h2-7,11-12,23H,8-10,22H2,1H3,(H,24,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 398n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamine 3 receptor


J Med Chem 36: 1529-38 (1993)


BindingDB Entry DOI: 10.7270/Q22V2HB9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50406757
PNG
(CHEMBL289489)
Show SMILES CC(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1
Show InChI InChI=1S/C21H21N5O2/c1-13(27)24-17-5-2-14(3-6-17)10-20-25-21(28-26-20)15-4-7-19-18(11-15)16(8-9-22)12-23-19/h2-7,11-12,23H,8-10,22H2,1H3,(H,24,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from pig cortex 5-hydroxytryptamine 1C receptor


J Med Chem 36: 1529-38 (1993)


BindingDB Entry DOI: 10.7270/Q22V2HB9
More data for this
Ligand-Target Pair