BindingDB logo
myBDB logout

BDBM50343895 CHEMBL1774996::N-(2-(4-(2-Hydroxyphenyl)piperazin-1-yl)ethyl)-4-iodo-N-(pyridin-2-yl)bicyclo[2.2.2]octane-1-carboxamide

SMILES: Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)CC3)c2ccccn2)CC1

InChI Key: InChIKey=CLKRZINIDXJKNI-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 = 50343895   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50343895
PNG
(CHEMBL1774996 | N-(2-(4-(2-Hydroxyphenyl)piperazin...)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C26H33IN4O2/c27-26-11-8-25(9-12-26,10-13-26)24(33)31(23-7-3-4-14-28-23)20-17-29-15-18-30(19-16-29)21-5-1-2-6-22(21)32/h1-7,14,32H,8-13,15-20H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.95n/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 (5-HT1A)


(Homo sapiens (Human))
BDBM50343895
PNG
(CHEMBL1774996 | N-(2-(4-(2-Hydroxyphenyl)piperazin...)
Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)CC3)c2ccccn2)CC1
Show InChI InChI=1S/C26H33IN4O2/c27-26-11-8-25(9-12-26,10-13-26)24(33)31(23-7-3-4-14-28-23)20-17-29-15-18-30(19-16-29)21-5-1-2-6-22(21)32/h1-7,14,32H,8-13,15-20H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.57n/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