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BDBM50133855 5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-benzyl)-6-(4-isopropylamino-phenyl)-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione::CHEMBL330834

SMILES: CC(C)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1

InChI Key: InChIKey=GSYWKUSBTVKLIY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133855   
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))
BDBM50133855
PNG
(5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-b...)
Show SMILES CC(C)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H34F2N4O2S/c1-24(2)40-27-19-17-26(18-20-27)34-30(22-41(3)21-25-11-6-4-7-12-25)33-35(44)43(28-13-8-5-9-14-28)37(45)42(36(33)46-34)23-29-31(38)15-10-16-32(29)39/h4-20,24,40H,21-23H2,1-3H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
88n/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