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BDBM50133852 1-(2,6-Difluoro-benzyl)-6-(4-nitro-phenyl)-3-phenyl-5-piperazin-1-ylmethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione::CHEMBL332194

SMILES: [O-][N+](=O)c1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN1CCNCC1

InChI Key: InChIKey=HVWFICMADVGIAQ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133852   
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))
BDBM50133852
PNG
(1-(2,6-Difluoro-benzyl)-6-(4-nitro-phenyl)-3-pheny...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN1CCNCC1
Show InChI InChI=1S/C30H25F2N5O4S/c31-24-7-4-8-25(32)22(24)18-35-29-26(28(38)36(30(35)39)20-5-2-1-3-6-20)23(17-34-15-13-33-14-16-34)27(42-29)19-9-11-21(12-10-19)37(40)41/h1-12,33H,13-18H2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
460n/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