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BDBM50133859 2-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}-acetamide::CHEMBL332570

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

InChI Key: InChIKey=IGCMTWXSJAWVSM-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133859   
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))
BDBM50133859
PNG
(2-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)CN)cc1)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O3S/c1-41(20-23-9-4-2-5-10-23)21-28-32-34(45)43(26-11-6-3-7-12-26)36(46)42(22-27-29(37)13-8-14-30(27)38)35(32)47-33(28)24-15-17-25(18-16-24)40-31(44)19-39/h2-18H,19-22,39H2,1H3,(H,40,44)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
150n/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