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BDBM50149419 3-isopropyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-1,2,4-oxadiazole::CHEMBL123882

SMILES: CC(C)c1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12

InChI Key: InChIKey=YHHCQFOSZRZNQC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50149419   
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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149419
PNG
(3-isopropyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7...)
Show SMILES CC(C)c1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12
Show InChI InChI=1S/C23H25N7O2/c1-12(2)19-25-23(32-29-19)21-27-26-20-17-14-7-9-15(10-8-14)18(17)22(28-30(20)21)31-11-16-6-4-5-13(3)24-16/h4-6,12,14-15H,7-11H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells


J Med Chem 47: 3642-57 (2004)


Article DOI: 10.1021/jm0407613
BindingDB Entry DOI: 10.7270/Q2RB7423
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149419
PNG
(3-isopropyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7...)
Show SMILES CC(C)c1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12
Show InChI InChI=1S/C23H25N7O2/c1-12(2)19-25-23(32-29-19)21-27-26-20-17-14-7-9-15(10-8-14)18(17)22(28-30(20)21)31-11-16-6-4-5-13(3)24-16/h4-6,12,14-15H,7-11H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
68.4n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells


J Med Chem 47: 3642-57 (2004)


Article DOI: 10.1021/jm0407613
BindingDB Entry DOI: 10.7270/Q2RB7423
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149419
PNG
(3-isopropyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7...)
Show SMILES CC(C)c1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12
Show InChI InChI=1S/C23H25N7O2/c1-12(2)19-25-23(32-29-19)21-27-26-20-17-14-7-9-15(10-8-14)18(17)22(28-30(20)21)31-11-16-6-4-5-13(3)24-16/h4-6,12,14-15H,7-11H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
83.9n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells


J Med Chem 47: 3642-57 (2004)


Article DOI: 10.1021/jm0407613
BindingDB Entry DOI: 10.7270/Q2RB7423
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149419
PNG
(3-isopropyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7...)
Show SMILES CC(C)c1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12
Show InChI InChI=1S/C23H25N7O2/c1-12(2)19-25-23(32-29-19)21-27-26-20-17-14-7-9-15(10-8-14)18(17)22(28-30(20)21)31-11-16-6-4-5-13(3)24-16/h4-6,12,14-15H,7-11H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha1-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells


J Med Chem 47: 3642-57 (2004)


Article DOI: 10.1021/jm0407613
BindingDB Entry DOI: 10.7270/Q2RB7423
More data for this
Ligand-Target Pair