BDBM50347988 CHEMBL1800152::US9346822, 40

SMILES: COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1

InChI Key: InChIKey=GAQYSUJKGLPTKB-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50347988   

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 1 (GnRHR1) (Homo sapiens (Human))	BDBM50347988 (CHEMBL1800152 | US9346822, 40) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C31H30F2N6O5S/c1-37(15-16-43-2)17-22-26-28(40)39(25-9-4-5-14-34-25)31(42)38(18-21-23(32)7-6-8-24(21)33)29(26)45-27(22)19-10-12-20(13-11-19)35-30(41)36-44-3/h4-14H,15-18H2,1-3H3,(H2,35,36,41)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The monkey and human membrane fractions prepared were diluted with the assay buffer to yield a 200 g/ml dilution, each of which was then dispensed at...				US Patent US9346822 (2016) BindingDB Entry DOI: 10.7270/Q2251H2F
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (GnRH) (Macaca fascicularis (Crab-eating macaque) (Cynomol...)	BDBM50347988 (CHEMBL1800152 | US9346822, 40) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C31H30F2N6O5S/c1-37(15-16-43-2)17-22-26-28(40)39(25-9-4-5-14-34-25)31(42)38(18-21-23(32)7-6-8-24(21)33)29(26)45-27(22)19-10-12-20(13-11-19)35-30(41)36-44-3/h4-14H,15-18H2,1-3H3,(H2,35,36,41)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The monkey and human membrane fractions prepared were diluted with the assay buffer to yield a 200 g/ml dilution, each of which was then dispensed at...				US Patent US9346822 (2016) BindingDB Entry DOI: 10.7270/Q2251H2F
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50347988 (CHEMBL1800152 | US9346822, 40) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C31H30F2N6O5S/c1-37(15-16-43-2)17-22-26-28(40)39(25-9-4-5-14-34-25)31(42)38(18-21-23(32)7-6-8-24(21)33)29(26)45-27(22)19-10-12-20(13-11-19)35-30(41)36-44-3/h4-14H,15-18H2,1-3H3,(H2,35,36,41)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.830	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 1 (GnRHR1) (Homo sapiens (Human))	BDBM50347988 (CHEMBL1800152 | US9346822, 40) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C31H30F2N6O5S/c1-37(15-16-43-2)17-22-26-28(40)39(25-9-4-5-14-34-25)31(42)38(18-21-23(32)7-6-8-24(21)33)29(26)45-27(22)19-10-12-20(13-11-19)35-30(41)36-44-3/h4-14H,15-18H2,1-3H3,(H2,35,36,41)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	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
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50347988 (CHEMBL1800152 | US9346822, 40) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C31H30F2N6O5S/c1-37(15-16-43-2)17-22-26-28(40)39(25-9-4-5-14-34-25)31(42)38(18-21-23(32)7-6-8-24(21)33)29(26)45-27(22)19-10-12-20(13-11-19)35-30(41)36-44-3/h4-14H,15-18H2,1-3H3,(H2,35,36,41)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 1 (GnRHR1) (Homo sapiens (Human))	BDBM50347988 (CHEMBL1800152 | US9346822, 40) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccn3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C31H30F2N6O5S/c1-37(15-16-43-2)17-22-26-28(40)39(25-9-4-5-14-34-25)31(42)38(18-21-23(32)7-6-8-24(21)33)29(26)45-27(22)19-10-12-20(13-11-19)35-30(41)36-44-3/h4-14H,15-18H2,1-3H3,(H2,35,36,41)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	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