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BDBM50343892 4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-N-(pyridin-2-yl)bicyclo[2.2.1]heptane-1-carboxamide::CHEMBL1774993

SMILES: COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)C3)c2ccccn2)CC1

InChI Key: InChIKey=PQKAMJJSVWUVDP-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50343892   
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 1A


(Homo sapiens (human))
BDBM50343892
PNG
(4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C26H33IN4O2/c1-33-22-7-3-2-6-21(22)30-17-14-29(15-18-30)16-19-31(23-8-4-5-13-28-23)24(32)25-9-11-26(27,20-25)12-10-25/h2-8,13H,9-12,14-20H2,1H3
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.870n/an/an/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting


J Med Chem 54: 3480-91 (2011)


Article DOI: 10.1021/jm1009956
BindingDB Entry DOI: 10.7270/Q2HX1D1C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50343892
PNG
(4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)C3)c2ccccn2)CC1
Show InChI InChI=1S/C26H33IN4O2/c1-33-22-7-3-2-6-21(22)30-17-14-29(15-18-30)16-19-31(23-8-4-5-13-28-23)24(32)25-9-11-26(27,20-25)12-10-25/h2-8,13H,9-12,14-20H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.02n/an/an/an/an/an/a



VU University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting


J Med Chem 54: 3480-91 (2011)


Article DOI: 10.1021/jm1009956
BindingDB Entry DOI: 10.7270/Q2HX1D1C
More data for this
Ligand-Target Pair