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Compile Data Set for Download or QSAR

Found 5 hits from Beecham Pharmaceuticals Research Division   
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 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000483
PNG
((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12
Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
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0.590n/an/an/an/an/an/an/an/a



Beecham Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Binding affinity for central 5-hydroxytryptamine 3 receptor was determined by displacement of [3H]-ketanserin


J Med Chem 33: 1924-9 (1990)


Article DOI: 10.1021/jm00169a016
BindingDB Entry DOI: 10.7270/Q2QN67CS
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50020152
PNG
(4-Amino-5-chloro-2-methoxy-N-(2-methyl-2-phenyl-oc...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CC(C)(CC2C1)c1ccccc1
Show InChI InChI=1S/C23H28ClN3O2/c1-23(15-6-4-3-5-7-15)13-17-10-16(8-9-27(17)14-23)26-22(28)18-11-19(24)20(25)12-21(18)29-2/h3-7,11-12,16-17H,8-10,13-14,25H2,1-2H3,(H,26,28)
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PubMed
250n/an/an/an/an/an/an/an/a



Beecham Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Dopamine receptor D2 at 10e-3 M concentration using [3H]-spiperone in rat striatal tissue


J Med Chem 31: 1708-12 (1988)


Article DOI: 10.1021/jm00117a008
BindingDB Entry DOI: 10.7270/Q2X92985
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000483
PNG
((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12
Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Beecham Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Binding affinity for central 5-hydroxytryptamine 3 receptor was determined by displacement of [3H]GR-65630


J Med Chem 33: 1924-9 (1990)


Article DOI: 10.1021/jm00169a016
BindingDB Entry DOI: 10.7270/Q2QN67CS
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50020152
PNG
(4-Amino-5-chloro-2-methoxy-N-(2-methyl-2-phenyl-oc...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CC(C)(CC2C1)c1ccccc1
Show InChI InChI=1S/C23H28ClN3O2/c1-23(15-6-4-3-5-7-15)13-17-10-16(8-9-27(17)14-23)26-22(28)18-11-19(24)20(25)12-21(18)29-2/h3-7,11-12,16-17H,8-10,13-14,25H2,1-2H3,(H,26,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Beecham Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Dopamine receptor D1 at 10e-3 M concentration using cis-[3H]-flupenthixol in rat striatal tissue


J Med Chem 31: 1708-12 (1988)


Article DOI: 10.1021/jm00117a008
BindingDB Entry DOI: 10.7270/Q2X92985
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000483
PNG
((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12
Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
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Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



Beecham Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
5-hydroxytryptamine 3 receptor antagonist activity was confirmed by its ability to antagonize 5-HT evoked tachycardia of rabbit isolated heart


J Med Chem 33: 1924-9 (1990)


Article DOI: 10.1021/jm00169a016
BindingDB Entry DOI: 10.7270/Q2QN67CS
More data for this
Ligand-Target Pair