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BDBM85712 1H-imidazol-4-ylacetic acid::CAS_645-65-8::CHEMBL784::Imidazole-4-acetic acid::NSC_96215

SMILES: OC(=O)Cc1cnc[nH]1

InChI Key: InChIKey=PRJKNHOMHKJCEJ-UHFFFAOYSA-N

Data: 1 KI  9 EC50

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 10 hits for monomerid = 85712   
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 B rho 1


(Homo sapiens (Human))
BDBM85712
PNG
(1H-imidazol-4-ylacetic acid | CAS_645-65-8 | CHEMB...)
Show SMILES OC(=O)Cc1cnc[nH]1
Show InChI InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
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Article
PubMed
150n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by PDSP Ki Database




Mol Pharmacol 58: 1375-80 (2000)


Article DOI: 10.1124/mol.58.6.1375
BindingDB Entry DOI: 10.7270/Q2154FK5
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM85712
PNG
(1H-imidazol-4-ylacetic acid | CAS_645-65-8 | CHEMB...)
Show SMILES OC(=O)Cc1cnc[nH]1
Show InChI InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
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PubMed
n/an/an/an/a 3.10E+5n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Effective agonist dose for human Gamma-aminobutyric-acid A receptor alpha6-beta3-gamma2


Bioorg Med Chem Lett 11: 1573-7 (2001)


BindingDB Entry DOI: 10.7270/Q24J0DDQ
More data for this
Ligand-Target Pair
GABA receptor alpha-4/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM85712
PNG
(1H-imidazol-4-ylacetic acid | CAS_645-65-8 | CHEMB...)
Show SMILES OC(=O)Cc1cnc[nH]1
Show InChI InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
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n/an/an/an/a 3.40E+5n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Effective agonist dose for human Gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 expressed in Xenopus oocytes


Bioorg Med Chem Lett 11: 1573-7 (2001)


BindingDB Entry DOI: 10.7270/Q24J0DDQ
More data for this
Ligand-Target Pair
GABA receptor rho-2 subunit


(Homo sapiens (Human))
BDBM85712
PNG
(1H-imidazol-4-ylacetic acid | CAS_645-65-8 | CHEMB...)
Show SMILES OC(=O)Cc1cnc[nH]1
Show InChI InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
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PubMed
n/an/an/an/a 3.00E+3n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Partial agonist activity against human rho-2 subunit GABA-C receptor expressed in Xenopus oocytes


J Med Chem 43: 1427-47 (2000)


BindingDB Entry DOI: 10.7270/Q2PZ59HT
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM85712
PNG
(1H-imidazol-4-ylacetic acid | CAS_645-65-8 | CHEMB...)
Show SMILES OC(=O)Cc1cnc[nH]1
Show InChI InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
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PubMed
n/an/an/an/a 6.00E+5n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist activity on human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 expressed in Xenopus oocytes


Bioorg Med Chem Lett 11: 1573-7 (2001)


BindingDB Entry DOI: 10.7270/Q24J0DDQ
More data for this
Ligand-Target Pair
GABA receptor alpha-6/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM85712
PNG
(1H-imidazol-4-ylacetic acid | CAS_645-65-8 | CHEMB...)
Show SMILES OC(=O)Cc1cnc[nH]1
Show InChI InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
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PubMed
n/an/an/an/a 4.60E+5n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonistic potency against human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 expressed in Xenopus oocytes at 1 mM


Bioorg Med Chem Lett 11: 1573-7 (2001)


BindingDB Entry DOI: 10.7270/Q24J0DDQ
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM85712
PNG
(1H-imidazol-4-ylacetic acid | CAS_645-65-8 | CHEMB...)
Show SMILES OC(=O)Cc1cnc[nH]1
Show InChI InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
PDB

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Article
PubMed
n/an/an/an/a 1.38E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells by Whole-cell patch-clamp technique


J Med Chem 50: 4147-61 (2007)


Article DOI: 10.1021/jm070447j
BindingDB Entry DOI: 10.7270/Q2KK9BGK
More data for this
Ligand-Target Pair
GABA-C receptor


(Homo sapiens (Human))
BDBM85712
PNG
(1H-imidazol-4-ylacetic acid | CAS_645-65-8 | CHEMB...)
Show SMILES OC(=O)Cc1cnc[nH]1
Show InChI InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
Reactome pathway
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PubMed
n/an/an/an/a 1.60E+4n/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Partial agonist activity against rho-1 subunit GABA-C receptor expressed in Xenopus oocytes, low intrinsic activity (Im 3%)


J Med Chem 43: 1427-47 (2000)


BindingDB Entry DOI: 10.7270/Q2PZ59HT
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM85712
PNG
(1H-imidazol-4-ylacetic acid | CAS_645-65-8 | CHEMB...)
Show SMILES OC(=O)Cc1cnc[nH]1
Show InChI InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
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PubMed
n/an/an/an/a 4.20E+5n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Effective agonist dose for human Gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 expressed in Xenopus oocytes


Bioorg Med Chem Lett 11: 1573-7 (2001)


BindingDB Entry DOI: 10.7270/Q24J0DDQ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM85712
PNG
(1H-imidazol-4-ylacetic acid | CAS_645-65-8 | CHEMB...)
Show SMILES OC(=O)Cc1cnc[nH]1
Show InChI InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
PDB

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antibodypedia
antibodypedia
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CHEMBL
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PC sid
UniChem

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PubMed
n/an/an/an/a 3.00E+5n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonistic potency against human Gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 expressed in Xenopus oocytes at 1 mM


Bioorg Med Chem Lett 11: 1573-7 (2001)


BindingDB Entry DOI: 10.7270/Q24J0DDQ
More data for this
Ligand-Target Pair