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BDBM50133858 5-[(Butyl-methyl-amino)-methyl]-1-(2,6-difluoro-benzyl)-6-(4-nitro-phenyl)-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione::CHEMBL333233

SMILES: CCCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=GABTVSUVFKJREE-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133858   
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
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50133858
PNG
(5-[(Butyl-methyl-amino)-methyl]-1-(2,6-difluoro-be...)
Show SMILES CCCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C31H28F2N4O4S/c1-3-4-17-34(2)18-24-27-29(38)36(21-9-6-5-7-10-21)31(39)35(19-23-25(32)11-8-12-26(23)33)30(27)42-28(24)20-13-15-22(16-14-20)37(40)41/h5-16H,3-4,17-19H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
270n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 13: 3617-22 (2003)


BindingDB Entry DOI: 10.7270/Q24X576N
More data for this
Ligand-Target Pair