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BDBM50133458 4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carbothioic acid phenylamide::CHEMBL334259

SMILES: CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccccc1

InChI Key: InChIKey=KIZFBOUMJTUKDH-HSZRJFAPSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50133458   
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))
BDBM50133458
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccccc1 |t:19|
Show InChI InChI=1S/C26H30N4S/c1-29-13-5-8-23(29)16-21-18-27-25-10-9-20(17-24(21)25)19-11-14-30(15-12-19)26(31)28-22-6-3-2-4-7-22/h2-4,6-7,9-11,17-18,23,27H,5,8,12-16H2,1H3,(H,28,31)/t23-/m1/s1
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PC cid
PC sid
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Similars

PubMed
0.680n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50133458
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=S)Nc1ccccc1 |t:19|
Show InChI InChI=1S/C26H30N4S/c1-29-13-5-8-23(29)16-21-18-27-25-10-9-20(17-24(21)25)19-11-14-30(15-12-19)26(31)28-22-6-3-2-4-7-22/h2-4,6-7,9-11,17-18,23,27H,5,8,12-16H2,1H3,(H,28,31)/t23-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.80n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair