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BDBM50116237 6-Benzo[1,3]dioxol-5-yl-3-[(benzyl-methyl-amino)-methyl]-8-(2-fluoro-benzyl)-2-(4-methoxy-phenyl)-7-methyl-8H-imidazo[1,2-a]pyrimidin-5-one::CHEMBL306431

SMILES: COc1ccc(cc1)-c1nc2n(Cc3ccccc3F)c(C)c(-c3ccc4OCOc4c3)c(=O)n2c1CN(C)Cc1ccccc1

InChI Key: InChIKey=UEQIOCUCOGQZDQ-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50116237   
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))
BDBM50116237
PNG
(6-Benzo[1,3]dioxol-5-yl-3-[(benzyl-methyl-amino)-m...)
Show SMILES COc1ccc(cc1)-c1nc2n(Cc3ccccc3F)c(C)c(-c3ccc4OCOc4c3)c(=O)n2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H33FN4O4/c1-24-34(27-15-18-32-33(19-27)46-23-45-32)36(43)42-31(22-40(2)20-25-9-5-4-6-10-25)35(26-13-16-29(44-3)17-14-26)39-37(42)41(24)21-28-11-7-8-12-30(28)38/h4-19H,20-23H2,1-3H3
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PC cid
PC sid
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Similars

Article
PubMed
47n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of GnRH receptor


Bioorg Med Chem 16: 422-7 (2008)


Article DOI: 10.1016/j.bmc.2007.09.026
BindingDB Entry DOI: 10.7270/Q2Z60PXR
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50116237
PNG
(6-Benzo[1,3]dioxol-5-yl-3-[(benzyl-methyl-amino)-m...)
Show SMILES COc1ccc(cc1)-c1nc2n(Cc3ccccc3F)c(C)c(-c3ccc4OCOc4c3)c(=O)n2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H33FN4O4/c1-24-34(27-15-18-32-33(19-27)46-23-45-32)36(43)42-31(22-40(2)20-25-9-5-4-6-10-25)35(26-13-16-29(44-3)17-14-26)39-37(42)41(24)21-28-11-7-8-12-30(28)38/h4-19H,20-23H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
47n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Binding evaluated in cloned human Gonadotropin-releasing hormone receptor by displacement of [125 I-Tyr, DLeu, NMeLeu, Pro-NEt]GnRH agonist


Bioorg Med Chem Lett 12: 2185-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00371-2
BindingDB Entry DOI: 10.7270/Q2513XJ0
More data for this
Ligand-Target Pair