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BDBM50368635 CHEMBL1744035

SMILES: CCCN(CCC)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C#N

InChI Key: InChIKey=WDDZPZKGLZNGEH-INIZCTEOSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50368635   
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))
BDBM50368635
PNG
(CHEMBL1744035)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C#N |r|
Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-19-18(17(14)12-16)11-15(13-20)21-19/h6,8,11,16,21H,3-5,7,9-10,12H2,1-2H3/t16-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.400n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.


J Med Chem 36: 2066-74 (1993)


BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50368635
PNG
(CHEMBL1744035)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C#N |r|
Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-19-18(17(14)12-16)11-15(13-20)21-19/h6,8,11,16,21H,3-5,7,9-10,12H2,1-2H3/t16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
896n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells


J Med Chem 36: 2066-74 (1993)


BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair