BDBM50347996 CHEMBL1800663

SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)CCc1ccccn1

InChI Key InChIKey=AAAOTGDHZDZLFN-UHFFFAOYSA-N

Data  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50347996   

TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50347996(CHEMBL1800663)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)CCc1ccccn1
Show InChI InChI=1S/C36H32F2N6O4S/c1-42(20-18-24-9-6-7-19-39-24)21-28-31-33(45)44(26-10-4-3-5-11-26)36(47)43(22-27-29(37)12-8-13-30(27)38)34(31)49-32(28)23-14-16-25(17-15-23)40-35(46)41-48-2/h3-17,19H,18,20-22H2,1-2H3,(H2,40,41,46)
Affinity DataIC50: 0.0700nMAssay Description:Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counterMore data for this Ligand-Target Pair
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50347996(CHEMBL1800663)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)CCc1ccccn1
Show InChI InChI=1S/C36H32F2N6O4S/c1-42(20-18-24-9-6-7-19-39-24)21-28-31-33(45)44(26-10-4-3-5-11-26)36(47)43(22-27-29(37)12-8-13-30(27)38)34(31)49-32(28)23-14-16-25(17-15-23)40-35(46)41-48-2/h3-17,19H,18,20-22H2,1-2H3,(H2,40,41,46)
Affinity DataIC50: 0.0700nMAssay Description:Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachadonic acid release using [5,6,8,9,11,1...More data for this Ligand-Target Pair