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BDBM50133857 5-{[(2-Diethylamino-ethyl)-methyl-amino]-methyl}-1-(2,6-difluoro-benzyl)-6-(4-nitro-phenyl)-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione::CHEMBL333213

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

InChI Key: InChIKey=DALGJTKYDUTGMX-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133857   
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))
BDBM50133857
PNG
(5-{[(2-Diethylamino-ethyl)-methyl-amino]-methyl}-1...)
Show SMILES CCN(CC)CCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C33H33F2N5O4S/c1-4-37(5-2)19-18-36(3)20-26-29-31(41)39(23-10-7-6-8-11-23)33(42)38(21-25-27(34)12-9-13-28(25)35)32(29)45-30(26)22-14-16-24(17-15-22)40(43)44/h6-17H,4-5,18-21H2,1-3H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
76n/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