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BDBM50133468 4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid naphthalen-1-ylamide::CHEMBL113893

SMILES: CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1cccc2ccccc12

InChI Key: InChIKey=HIXRTRZELGSDME-RUZDIDTESA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50133468   
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))
BDBM50133468
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1cccc2ccccc12 |t:19|
Show InChI InChI=1S/C30H32N4O/c1-33-15-5-8-25(33)18-24-20-31-28-12-11-23(19-27(24)28)21-13-16-34(17-14-21)30(35)32-29-10-4-7-22-6-2-3-9-26(22)29/h2-4,6-7,9-13,19-20,25,31H,5,8,14-18H2,1H3,(H,32,35)/t25-/m1/s1
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PC cid
PC sid
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Similars

PubMed
0.450n/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))
BDBM50133468
PNG
(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1cccc2ccccc12 |t:19|
Show InChI InChI=1S/C30H32N4O/c1-33-15-5-8-25(33)18-24-20-31-28-12-11-23(19-27(24)28)21-13-16-34(17-14-21)30(35)32-29-10-4-7-22-6-2-3-9-26(22)29/h2-4,6-7,9-13,19-20,25,31H,5,8,14-18H2,1H3,(H,32,35)/t25-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.80n/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