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BDBM84445 Isoindoline, 12

SMILES: OCC(CN1Cc2cccc(F)c2C1)N1CCC(CC1)c1noc2cc(F)ccc12

InChI Key: InChIKey=XPQFMRCQDNWUBC-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 84445   
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM84445
PNG
(Isoindoline, 12)
Show SMILES OCC(CN1Cc2cccc(F)c2C1)N1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H25F2N3O2/c24-17-4-5-19-22(10-17)30-26-23(19)15-6-8-28(9-7-15)18(14-29)12-27-11-16-2-1-3-21(25)20(16)13-27/h1-5,10,15,18,29H,6-9,11-14H2
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PC cid
PC sid
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Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals



Assay Description
Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.


Chembiochem 3: 999-1009 (2002)


Article DOI: 10.1002/1439-7633(20021004)3:10
BindingDB Entry DOI: 10.7270/Q27D2SP5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM84445
PNG
(Isoindoline, 12)
Show SMILES OCC(CN1Cc2cccc(F)c2C1)N1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H25F2N3O2/c24-17-4-5-19-22(10-17)30-26-23(19)15-6-8-28(9-7-15)18(14-29)12-27-11-16-2-1-3-21(25)20(16)13-27/h1-5,10,15,18,29H,6-9,11-14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
55.9n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals



Assay Description
Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.


Chembiochem 3: 999-1009 (2002)


Article DOI: 10.1002/1439-7633(20021004)3:10
BindingDB Entry DOI: 10.7270/Q27D2SP5
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM84445
PNG
(Isoindoline, 12)
Show SMILES OCC(CN1Cc2cccc(F)c2C1)N1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H25F2N3O2/c24-17-4-5-19-22(10-17)30-26-23(19)15-6-8-28(9-7-15)18(14-29)12-27-11-16-2-1-3-21(25)20(16)13-27/h1-5,10,15,18,29H,6-9,11-14H2
Reactome pathway

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
232n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals



Assay Description
All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker.


Chembiochem 3: 999-1009 (2002)


Article DOI: 10.1002/1439-7633(20021004)3:10
BindingDB Entry DOI: 10.7270/Q27D2SP5
More data for this
Ligand-Target Pair