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BDBM50115989 3-[(Benzyl-methyl-amino)-methyl]-8-(2,6-difluoro-benzyl)-2-[4-(3-methoxy-ureido)-phenyl]-5-oxo-5,8-dihydro-imidazo[1,2-a]pyrimidine-6-carboxylic acid propyl ester::CHEMBL65769

SMILES: CONC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OC(C)C)c(=O)n2c1CN(C)Cc1ccccc1

InChI Key: InChIKey=CPOKDRFUMFBXKB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50115989   
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))		BDBM50115989
PNG
(3-[(Benzyl-methyl-amino)-methyl]-8-(2,6-difluoro-b...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OC(C)C)c(=O)n2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C34H34F2N6O5/c1-21(2)47-32(44)26-19-41(18-25-27(35)11-8-12-28(25)36)34-38-30(23-13-15-24(16-14-23)37-33(45)39-46-4)29(42(34)31(26)43)20-40(3)17-22-9-6-5-7-10-22/h5-16,19,21H,17-18,20H2,1-4H3,(H2,37,39,45)
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KEGG

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PubMed
n/an/a 0.400n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of specific [125I]-leuprorelin binding to the cloned human LHRH receptor expressed in chinese hamster ovary cells

Bioorg Med Chem Lett 12: 2073-7 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2G32
More data for this
Ligand-Target Pair