null

SMILES: COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1

InChI Key: InChIKey=IDQKFYZNDFRPKP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50347985   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50347985 (CHEMBL1800156) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C32H32F2N6O6S/c1-38(14-15-44-2)17-23-27-29(41)40(21-12-13-26(45-3)35-16-21)32(43)39(18-22-24(33)6-5-7-25(22)34)30(27)47-28(23)19-8-10-20(11-9-19)36-31(42)37-46-4/h5-13,16H,14-15,17-18H2,1-4H3,(H2,36,37,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay 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...				J Med Chem 54: 4998-5012 (2011) Article DOI: 10.1021/jm200216q BindingDB Entry DOI: 10.7270/Q22N52MK
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50347985 (CHEMBL1800156) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C32H32F2N6O6S/c1-38(14-15-44-2)17-23-27-29(41)40(21-12-13-26(45-3)35-16-21)32(43)39(18-22-24(33)6-5-7-25(22)34)30(27)47-28(23)19-8-10-20(11-9-19)36-31(42)37-46-4/h5-13,16H,14-15,17-18H2,1-4H3,(H2,36,37,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter				J Med Chem 54: 4998-5012 (2011) Article DOI: 10.1021/jm200216q BindingDB Entry DOI: 10.7270/Q22N52MK
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50347985 (CHEMBL1800156) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C32H32F2N6O6S/c1-38(14-15-44-2)17-23-27-29(41)40(21-12-13-26(45-3)35-16-21)32(43)39(18-22-24(33)6-5-7-25(22)34)30(27)47-28(23)19-8-10-20(11-9-19)36-31(42)37-46-4/h5-13,16H,14-15,17-18H2,1-4H3,(H2,36,37,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay 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...				J Med Chem 54: 4998-5012 (2011) Article DOI: 10.1021/jm200216q BindingDB Entry DOI: 10.7270/Q22N52MK
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50347985 (CHEMBL1800156) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccc(OC)nc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C32H32F2N6O6S/c1-38(14-15-44-2)17-23-27-29(41)40(21-12-13-26(45-3)35-16-21)32(43)39(18-22-24(33)6-5-7-25(22)34)30(27)47-28(23)19-8-10-20(11-9-19)36-31(42)37-46-4/h5-13,16H,14-15,17-18H2,1-4H3,(H2,36,37,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter in presence of 40% fetal...				J Med Chem 54: 4998-5012 (2011) Article DOI: 10.1021/jm200216q BindingDB Entry DOI: 10.7270/Q22N52MK
					More data for this Ligand-Target Pair