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BDBM50133850 4-Amino-N-{4-[5-[(benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-benzyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydro-thieno[2,3-d]pyrimidin-6-yl]-phenyl}-butyramide::CHEMBL332616

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

InChI Key: InChIKey=JVBJPLUJGOISDF-UHFFFAOYSA-N

Data: 1 KI

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133850   
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))
BDBM50133850
PNG
(4-Amino-N-{4-[5-[(benzyl-methyl-amino)-methyl]-1-(...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)CCCN)cc1)Cc1ccccc1
Show InChI InChI=1S/C38H35F2N5O3S/c1-43(22-25-10-4-2-5-11-25)23-30-34-36(47)45(28-12-6-3-7-13-28)38(48)44(24-29-31(39)14-8-15-32(29)40)37(34)49-35(30)26-17-19-27(20-18-26)42-33(46)16-9-21-41/h2-8,10-15,17-20H,9,16,21-24,41H2,1H3,(H,42,46)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
300n/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