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BDBM50084952 4'-Carbamimidoyl-2'-methyl-biphenyl-4-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide::CHEMBL147503

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

InChI Key: InChIKey=LBFHWQWAWLKTEK-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50084952   
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))
BDBM50084952
PNG
(4'-Carbamimidoyl-2'-methyl-biphenyl-4-carboxylic a...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=N)cc1N1CCN(C)CC1
Show InChI InChI=1S/C27H31N5O2/c1-18-16-21(26(28)29)8-10-23(18)19-4-6-20(7-5-19)27(33)30-22-9-11-25(34-3)24(17-22)32-14-12-31(2)13-15-32/h4-11,16-17H,12-15H2,1-3H3,(H3,28,29)(H,30,33)
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PC sid
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Article
PubMed
n/an/a 0.5n/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))
BDBM50084952
PNG
(4'-Carbamimidoyl-2'-methyl-biphenyl-4-carboxylic a...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=N)cc1N1CCN(C)CC1
Show InChI InChI=1S/C27H31N5O2/c1-18-16-21(26(28)29)8-10-23(18)19-4-6-20(7-5-19)27(33)30-22-9-11-25(34-3)24(17-22)32-14-12-31(2)13-15-32/h4-11,16-17H,12-15H2,1-3H3,(H3,28,29)(H,30,33)
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PubMed
n/an/a 407n/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
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50084952
PNG
(4'-Carbamimidoyl-2'-methyl-biphenyl-4-carboxylic a...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=N)cc1N1CCN(C)CC1
Show InChI InChI=1S/C27H31N5O2/c1-18-16-21(26(28)29)8-10-23(18)19-4-6-20(7-5-19)27(33)30-22-9-11-25(34-3)24(17-22)32-14-12-31(2)13-15-32/h4-11,16-17H,12-15H2,1-3H3,(H3,28,29)(H,30,33)
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PubMed
n/an/a 3n/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))
BDBM50084952
PNG
(4'-Carbamimidoyl-2'-methyl-biphenyl-4-carboxylic a...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=N)cc1N1CCN(C)CC1
Show InChI InChI=1S/C27H31N5O2/c1-18-16-21(26(28)29)8-10-23(18)19-4-6-20(7-5-19)27(33)30-22-9-11-25(34-3)24(17-22)32-14-12-31(2)13-15-32/h4-11,16-17H,12-15H2,1-3H3,(H3,28,29)(H,30,33)
KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 23n/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