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BDBM50133845 5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-benzyl)-6-(4-dimethylamino-phenyl)-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione::CHEMBL330835

SMILES: CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)N(C)C)Cc1ccccc1

InChI Key: InChIKey=LFBIGQYVSBGFCA-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133845   
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))
BDBM50133845
PNG
(5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-b...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)N(C)C)Cc1ccccc1
Show InChI InChI=1S/C36H32F2N4O2S/c1-39(2)26-19-17-25(18-20-26)33-29(22-40(3)21-24-11-6-4-7-12-24)32-34(43)42(27-13-8-5-9-14-27)36(44)41(35(32)45-33)23-28-30(37)15-10-16-31(28)38/h4-20H,21-23H2,1-3H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
61n/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