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BDBM84458 Isoindoline, 25

SMILES: OCC(CN1C(=C)[C@@H]2CCCC[C@@H]2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12

InChI Key: InChIKey=JOEBPYFHQSFJJM-HVHKIHDFNA-N

Data: 2 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 2 hits for monomerid = 84458   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM84458
PNG
(Isoindoline, 25)
Show SMILES OCC(CN1C(=C)[C@@H]2CCCC[C@@H]2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1/C24H30FN3O3/c1-15-19-4-2-3-5-20(19)24(30)28(15)13-18(14-29)27-10-8-16(9-11-27)23-21-7-6-17(25)12-22(21)31-26-23/h6-7,12,16,18-20,29H,1-5,8-11,13-14H2/t18?,19-,20-/s2
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.



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(4) dopamine receptor


(Homo sapiens (Human))
BDBM84458
PNG
(Isoindoline, 25)
Show SMILES OCC(CN1C(=C)[C@@H]2CCCC[C@@H]2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1/C24H30FN3O3/c1-15-19-4-2-3-5-20(19)24(30)28(15)13-18(14-29)27-10-8-16(9-11-27)23-21-7-6-17(25)12-22(21)31-26-23/h6-7,12,16,18-20,29H,1-5,8-11,13-14H2/t18?,19-,20-/s2
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.



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