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BDBM50084951 2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biphenyl-4-carboxylic acid [4-(2-fluoro-ethoxy)-3-(4-methyl-piperazin-1-yl)-phenyl]-amide::CHEMBL151420

SMILES: CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OCCF

InChI Key: InChIKey=DUMFBDNWYSCVRA-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50084951   
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 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50084951
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OCCF
Show InChI InChI=1S/C30H32FN5O3/c1-20-18-24(29-32-21(2)39-34-29)8-10-26(20)22-4-6-23(7-5-22)30(37)33-25-9-11-28(38-17-12-31)27(19-25)36-15-13-35(3)14-16-36/h4-11,18-19H,12-17H2,1-3H3,(H,33,37)
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PC cid
PC sid
UniChem

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



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio binding assay


J Med Chem 43: 517-25 (2000)


Article DOI: 10.1021/jm990397l
BindingDB Entry DOI: 10.7270/Q2WM1CNB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50084951
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OCCF
Show InChI InChI=1S/C30H32FN5O3/c1-20-18-24(29-32-21(2)39-34-29)8-10-26(20)22-4-6-23(7-5-22)30(37)33-25-9-11-28(38-17-12-31)27(19-25)36-15-13-35(3)14-16-36/h4-11,18-19H,12-17H2,1-3H3,(H,33,37)
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Article
PubMed
n/an/a 600n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition affinity against 5-HT-1D receptor in bovine caudate nucleus using radio binding assay


J Med Chem 43: 517-25 (2000)


Article DOI: 10.1021/jm990397l
BindingDB Entry DOI: 10.7270/Q2WM1CNB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50084951
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OCCF
Show InChI InChI=1S/C30H32FN5O3/c1-20-18-24(29-32-21(2)39-34-29)8-10-26(20)22-4-6-23(7-5-22)30(37)33-25-9-11-28(38-17-12-31)27(19-25)36-15-13-35(3)14-16-36/h4-11,18-19H,12-17H2,1-3H3,(H,33,37)
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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition activity against 5-hydroxytryptamine 1A receptor in rat hippocampus membranes using radio binding assays


J Med Chem 43: 517-25 (2000)


Article DOI: 10.1021/jm990397l
BindingDB Entry DOI: 10.7270/Q2WM1CNB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50084951
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OCCF
Show InChI InChI=1S/C30H32FN5O3/c1-20-18-24(29-32-21(2)39-34-29)8-10-26(20)22-4-6-23(7-5-22)30(37)33-25-9-11-28(38-17-12-31)27(19-25)36-15-13-35(3)14-16-36/h4-11,18-19H,12-17H2,1-3H3,(H,33,37)
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Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine reuptake


J Med Chem 43: 517-25 (2000)


Article DOI: 10.1021/jm990397l
BindingDB Entry DOI: 10.7270/Q2WM1CNB
More data for this
Ligand-Target Pair