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BDBM50133839 1-(2,6-Difluoro-benzyl)-5-[(methyl-pyridin-2-ylmethyl-amino)-methyl]-6-(4-nitro-phenyl)-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione::CHEMBL331762

SMILES: CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O)Cc1ccccn1

InChI Key: InChIKey=HGJJCSUJDANQOP-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133839   
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))
BDBM50133839
PNG
(1-(2,6-Difluoro-benzyl)-5-[(methyl-pyridin-2-ylmet...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O)Cc1ccccn1
Show InChI InChI=1S/C33H25F2N5O4S/c1-37(18-22-8-5-6-17-36-22)19-26-29-31(41)39(23-9-3-2-4-10-23)33(42)38(20-25-27(34)11-7-12-28(25)35)32(29)45-30(26)21-13-15-24(16-14-21)40(43)44/h2-17H,18-20H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
9n/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