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SMILES: O=C(NCCCN1CCN(CC1)c1ncccn1)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2

InChI Key: InChIKey=RBIVLMIFOYIRGH-VTIBSLLJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50083299   
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


(Rattus norvegicus (rat))
BDBM50083299
PNG
(1-Adamantan-1-yl-3-[3-(4-pyrimidin-2-yl-piperazin-...)
Show SMILES O=C(NCCCN1CCN(CC1)c1ncccn1)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24|
Show InChI InChI=1S/C22H34N6O/c29-21(26-22-14-17-11-18(15-22)13-19(12-17)16-22)25-5-2-6-27-7-9-28(10-8-27)20-23-3-1-4-24-20/h1,3-4,17-19H,2,5-16H2,(H2,25,26,29)/t17-,18+,19-,22?
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
7n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50083299
PNG
(1-Adamantan-1-yl-3-[3-(4-pyrimidin-2-yl-piperazin-...)
Show SMILES O=C(NCCCN1CCN(CC1)c1ncccn1)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24|
Show InChI InChI=1S/C22H34N6O/c29-21(26-22-14-17-11-18(15-22)13-19(12-17)16-22)25-5-2-6-27-7-9-28(10-8-27)20-23-3-1-4-24-20/h1,3-4,17-19H,2,5-16H2,(H2,25,26,29)/t17-,18+,19-,22?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against rat limbic tissue Dopamine receptor D2


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair