BindingDB logo
myBDB logout

BDBM50206938 CHEMBL222316::N-butyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide

SMILES: CCCCNC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O

InChI Key: InChIKey=FFNPFJOEAUFBBY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50206938   
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-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM50206938
PNG
(CHEMBL222316 | N-butyl-2-(5-nitro-1H-indol-3-yl)-2...)
Show SMILES CCCCNC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O4/c1-2-3-6-15-14(19)13(18)11-8-16-12-5-4-9(17(20)21)7-10(11)12/h4-5,7-8,16H,2-3,6H2,1H3,(H,15,19)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
125n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha1beta2gamma2 expressed in HEK293 cells


J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM50206938
PNG
(CHEMBL222316 | N-butyl-2-(5-nitro-1H-indol-3-yl)-2...)
Show SMILES CCCCNC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O4/c1-2-3-6-15-14(19)13(18)11-8-16-12-5-4-9(17(20)21)7-10(11)12/h4-5,7-8,16H,2-3,6H2,1H3,(H,15,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
553n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha2beta2gamma2 expressed in HEK293 cells


J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Rattus norvegicus (Rat)-RAT)
BDBM50206938
PNG
(CHEMBL222316 | N-butyl-2-(5-nitro-1H-indol-3-yl)-2...)
Show SMILES CCCCNC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O4/c1-2-3-6-15-14(19)13(18)11-8-16-12-5-4-9(17(20)21)7-10(11)12/h4-5,7-8,16H,2-3,6H2,1H3,(H,15,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
943n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha5beta3gamma2 expressed in HEK293 cells


J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair