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BDBM50084958 2'-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biphenyl-4-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide::CHEMBL146735

SMILES: COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1

InChI Key: InChIKey=QXLNAYIFEMXTDZ-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50084958   
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 1D


(Homo sapiens (human))
BDBM50084958
PNG
(2'-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biph...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(29-32-31-20(2)37-29)9-11-25(19)21-5-7-22(8-6-21)28(35)30-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,30,35)
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Article
PubMed
n/an/a 37n/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))
BDBM50084958
PNG
(2'-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biph...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(29-32-31-20(2)37-29)9-11-25(19)21-5-7-22(8-6-21)28(35)30-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,30,35)
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Article
PubMed
n/an/a>1.00E+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
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50084958
PNG
(2'-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biph...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(29-32-31-20(2)37-29)9-11-25(19)21-5-7-22(8-6-21)28(35)30-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,30,35)
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Article
PubMed
n/an/a 0.930n/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
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50084958
PNG
(2'-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biph...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(29-32-31-20(2)37-29)9-11-25(19)21-5-7-22(8-6-21)28(35)30-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,30,35)
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Article
PubMed
n/an/a>1.00E+3n/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