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SMILES: CC(C)Oc1ccccc1N1CCN(CCc2ccc(C(=O)C(=O)N3CCCCCC3)n2C)CC1

InChI Key: InChIKey=GDEVLSFEESNUML-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50029255   
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))
BDBM50029255
PNG
(1-Azepan-1-yl-2-(5-{2-[4-(2-isopropoxy-phenyl)-pip...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccc(C(=O)C(=O)N3CCCCCC3)n2C)CC1
Show InChI InChI=1S/C28H40N4O3/c1-22(2)35-26-11-7-6-10-24(26)31-20-18-30(19-21-31)17-14-23-12-13-25(29(23)3)27(33)28(34)32-15-8-4-5-9-16-32/h6-7,10-13,22H,4-5,8-9,14-21H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
12n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101


J Med Chem 38: 4198-210 (1995)


BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50029255
PNG
(1-Azepan-1-yl-2-(5-{2-[4-(2-isopropoxy-phenyl)-pip...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccc(C(=O)C(=O)N3CCCCCC3)n2C)CC1
Show InChI InChI=1S/C28H40N4O3/c1-22(2)35-26-11-7-6-10-24(26)31-20-18-30(19-21-31)17-14-23-12-13-25(29(23)3)27(33)28(34)32-15-8-4-5-9-16-32/h6-7,10-13,22H,4-5,8-9,14-21H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
100n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Dopamine receptor D2 using [3H]spiperone


J Med Chem 38: 4198-210 (1995)


BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair