BindingDB logo
myBDB logout

null

SMILES: COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nc5cc(Cl)cnc5n4)[C@@]3(C)CC[C@H]21

InChI Key: InChIKey=SFYPYDOIEACSBV-URMQOQLDSA-N

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 1 hit for monomerid = 403336   
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
Gamma-aminobutyric acid (GABA) B receptor 1


(Rattus norvegicus (rat))		BDBM403336
PNG
(US10329320, Compound 13)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nc5cc(Cl)cnc5n4)[C@@]3(C)CC[C@H]21 |r|
Show InChI InChI=1S/C28H39ClN4O3/c1-26(35)10-11-28(16-36-3)17(13-26)4-5-19-20-6-7-22(27(20,2)9-8-21(19)28)24(34)15-33-31-23-12-18(29)14-30-25(23)32-33/h12,14,17,19-22,35H,4-11,13,15-16H2,1-3H3/t17-,19-,20-,21-,22+,26+,27-,28+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...

PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q22N54NV
More data for this
Ligand-Target Pair