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BDBM84443 Isoindoline, 10::Isoindoline, 11

SMILES: OCC(CN1Cc2ccc(F)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12

InChI Key: InChIKey=YCHBCAZCQRJJQZ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 84443   
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))
BDBM84443
PNG
(Isoindoline, 10 | Isoindoline, 11)
Show SMILES OCC(CN1Cc2ccc(F)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H25F2N3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2
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1.20n/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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM84443
PNG
(Isoindoline, 10 | Isoindoline, 11)
Show SMILES OCC(CN1Cc2ccc(F)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H25F2N3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2
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35.9n/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))
BDBM84443
PNG
(Isoindoline, 10 | Isoindoline, 11)
Show SMILES OCC(CN1Cc2ccc(F)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H25F2N3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2
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92.5n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM84443
PNG
(Isoindoline, 10 | Isoindoline, 11)
Show SMILES OCC(CN1Cc2ccc(F)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H25F2N3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2
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100n/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))
BDBM84443
PNG
(Isoindoline, 10 | Isoindoline, 11)
Show SMILES OCC(CN1Cc2ccc(F)cc2C1)N1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H25F2N3O2/c24-18-2-1-16-11-27(12-17(16)9-18)13-20(14-29)28-7-5-15(6-8-28)23-21-4-3-19(25)10-22(21)30-26-23/h1-4,9-10,15,20,29H,5-8,11-14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
250n/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