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BDBM21597 2-{1'-benzyl-5-chloro-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,5'-dione}acetic acid::Spiro-indolinone analogue, 89

SMILES: OC(=O)CN1C(=O)C2(CN(Cc3ccccc3)C(=O)C2)c2cc(Cl)ccc12

InChI Key: InChIKey=BDWQUHFLKUXBHZ-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 21597   
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
G protein-coupled receptor 44


(Mus musculus (mouse))
BDBM21597
PNG
(2-{1'-benzyl-5-chloro-1,2-dihydrospiro[indole-3,3'...)
Show SMILES OC(=O)CN1C(=O)C2(CN(Cc3ccccc3)C(=O)C2)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H17ClN2O4/c21-14-6-7-16-15(8-14)20(19(27)23(16)11-18(25)26)9-17(24)22(12-20)10-13-4-2-1-3-5-13/h1-8H,9-12H2,(H,25,26)
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Article
PubMed
480n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM21597
PNG
(2-{1'-benzyl-5-chloro-1,2-dihydrospiro[indole-3,3'...)
Show SMILES OC(=O)CN1C(=O)C2(CN(Cc3ccccc3)C(=O)C2)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H17ClN2O4/c21-14-6-7-16-15(8-14)20(19(27)23(16)11-18(25)26)9-17(24)22(12-20)10-13-4-2-1-3-5-13/h1-8H,9-12H2,(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
702n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...


J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
BindingDB Entry DOI: 10.7270/Q22R3PZS
More data for this
Ligand-Target Pair