BDBM50347989 CHEMBL1800668

SMILES: COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1

InChI Key: InChIKey=KQQDOLKHWXDVHM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50347989   

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))	BDBM50347989 (CHEMBL1800668) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C32H31F2N5O5S/c1-37(16-17-43-2)18-24-27-29(40)39(22-8-5-4-6-9-22)32(42)38(19-23-25(33)10-7-11-26(23)34)30(27)45-28(24)20-12-14-21(15-13-20)35-31(41)36-44-3/h4-15H,16-19H2,1-3H3,(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	1.40	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))	BDBM50347989 (CHEMBL1800668) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C32H31F2N5O5S/c1-37(16-17-43-2)18-24-27-29(40)39(22-8-5-4-6-9-22)32(42)38(19-23-25(33)10-7-11-26(23)34)30(27)45-28(24)20-12-14-21(15-13-20)35-31(41)36-44-3/h4-15H,16-19H2,1-3H3,(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	0.100	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))	BDBM50347989 (CHEMBL1800668) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C32H31F2N5O5S/c1-37(16-17-43-2)18-24-27-29(40)39(22-8-5-4-6-9-22)32(42)38(19-23-25(33)10-7-11-26(23)34)30(27)45-28(24)20-12-14-21(15-13-20)35-31(41)36-44-3/h4-15H,16-19H2,1-3H3,(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	0.0800	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))	BDBM50347989 (CHEMBL1800668) Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C32H31F2N5O5S/c1-37(16-17-43-2)18-24-27-29(40)39(22-8-5-4-6-9-22)32(42)38(19-23-25(33)10-7-11-26(23)34)30(27)45-28(24)20-12-14-21(15-13-20)35-31(41)36-44-3/h4-15H,16-19H2,1-3H3,(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	0.5	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