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BDBM50089764 CHEMBL281480::{1-[2-(7-Methoxy-1H-indol-3-yl)-2-oxo-acetyl]-pyrrolidin-2-yl}-acetic acid ethyl ester

SMILES: CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c(OC)cccc12

InChI Key: InChIKey=BHJKLRZKDBSSKN-UHFFFAOYNA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50089764   
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
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50089764
PNG
(CHEMBL281480 | {1-[2-(7-Methoxy-1H-indol-3-yl)-2-o...)
Show SMILES CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c(OC)cccc12
Show InChI InChI=1/C19H22N2O5/c1-3-26-16(22)10-12-6-5-9-21(12)19(24)18(23)14-11-20-17-13(14)7-4-8-15(17)25-2/h4,7-8,11-12,20H,3,5-6,9-10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
270n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity evaluated by ability to displace [3H]-Ro-15-1788 from recombinant human Gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 ex...


Bioorg Med Chem Lett 10: 1381-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00245-6
BindingDB Entry DOI: 10.7270/Q2KD1X5T
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50089764
PNG
(CHEMBL281480 | {1-[2-(7-Methoxy-1H-indol-3-yl)-2-o...)
Show SMILES CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c(OC)cccc12
Show InChI InChI=1/C19H22N2O5/c1-3-26-16(22)10-12-6-5-9-21(12)19(24)18(23)14-11-20-17-13(14)7-4-8-15(17)25-2/h4,7-8,11-12,20H,3,5-6,9-10H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
320n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-3-beta-3-gamma-2 expr...


Bioorg Med Chem Lett 10: 1381-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00245-6
BindingDB Entry DOI: 10.7270/Q2KD1X5T
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50089764
PNG
(CHEMBL281480 | {1-[2-(7-Methoxy-1H-indol-3-yl)-2-o...)
Show SMILES CCOC(=O)CC1CCCN1C(=O)C(=O)c1c[nH]c2c(OC)cccc12
Show InChI InChI=1/C19H22N2O5/c1-3-26-16(22)10-12-6-5-9-21(12)19(24)18(23)14-11-20-17-13(14)7-4-8-15(17)25-2/h4,7-8,11-12,20H,3,5-6,9-10H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
460n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2 expr...


Bioorg Med Chem Lett 10: 1381-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00245-6
BindingDB Entry DOI: 10.7270/Q2KD1X5T
More data for this
Ligand-Target Pair