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BDBM50083115 CHEMBL147907::{1-[3-(5-Imidazol-1-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-((R)-1-phenyl-ethyl)-amine

SMILES: C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2ccnc2)CC1)c1ccccc1

InChI Key: InChIKey=MIEAXBUEPZRDHB-OAQYLSRUSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50083115   
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))
BDBM50083115
PNG
(CHEMBL147907 | {1-[3-(5-Imidazol-1-yl-1H-indol-3-y...)
Show SMILES C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2ccnc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H33N5/c1-21(22-6-3-2-4-7-22)30-24-11-15-31(16-12-24)14-5-8-23-19-29-27-10-9-25(18-26(23)27)32-17-13-28-20-32/h2-4,6-7,9-10,13,17-21,24,29-30H,5,8,11-12,14-16H2,1H3/t21-/m1/s1
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PubMed
n/an/a 4.20n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083115
PNG
(CHEMBL147907 | {1-[3-(5-Imidazol-1-yl-1H-indol-3-y...)
Show SMILES C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2ccnc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H33N5/c1-21(22-6-3-2-4-7-22)30-24-11-15-31(16-12-24)14-5-8-23-19-29-27-10-9-25(18-26(23)27)32-17-13-28-20-32/h2-4,6-7,9-10,13,17-21,24,29-30H,5,8,11-12,14-16H2,1H3/t21-/m1/s1
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UniChem

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PubMed
n/an/an/an/a 6.20n/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor


J Med Chem 42: 4981-5001 (2000)


BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50083115
PNG
(CHEMBL147907 | {1-[3-(5-Imidazol-1-yl-1H-indol-3-y...)
Show SMILES C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2ccnc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H33N5/c1-21(22-6-3-2-4-7-22)30-24-11-15-31(16-12-24)14-5-8-23-19-29-27-10-9-25(18-26(23)27)32-17-13-28-20-32/h2-4,6-7,9-10,13,17-21,24,29-30H,5,8,11-12,14-16H2,1H3/t21-/m1/s1
PDB

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UniProtKB/TrEMBL

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 110n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1B receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair