BDBM50189701 3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobenzyl)-4,7-dihydro-2-[4-(1-hydroxy-1-cyclopropanecarboxamido)-phenyl]-5-isobutyryl-4-oxothieno[2,3-b]pyridine::CHEMBL211485

SMILES: CCC(O)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)C(C)C)c(=O)c2c1CN(C)Cc1ccccc1

InChI Key: InChIKey=YTNQLXVWNVGYJS-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50189701   

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))	BDBM50189701 (3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobe...) Show SMILES CCC(O)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)C(C)C)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H37F2N3O4S/c1-5-31(43)36(46)40-25-16-14-24(15-17-25)35-27(19-41(4)18-23-10-7-6-8-11-23)32-34(45)28(33(44)22(2)3)21-42(37(32)47-35)20-26-29(38)12-9-13-30(26)39/h6-17,21-22,31,43H,5,18-20H2,1-4H3,(H,40,46)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]leuprorelin binding to monkey recombinant LHRH receptor expressed in CHO cells				J Med Chem 49: 3809-25 (2006) Article DOI: 10.1021/jm0512894 BindingDB Entry DOI: 10.7270/Q2VQ33G8
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50189701 (3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobe...) Show SMILES CCC(O)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)C(C)C)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H37F2N3O4S/c1-5-31(43)36(46)40-25-16-14-24(15-17-25)35-27(19-41(4)18-23-10-7-6-8-11-23)32-34(45)28(33(44)22(2)3)21-42(37(32)47-35)20-26-29(38)12-9-13-30(26)39/h6-17,21-22,31,43H,5,18-20H2,1-4H3,(H,40,46)	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 Inhibition of LHRH-stimulated arachidonic acid release in CHO cells expressing human LHRH receptor				J Med Chem 49: 3809-25 (2006) Article DOI: 10.1021/jm0512894 BindingDB Entry DOI: 10.7270/Q2VQ33G8
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50189701 (3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobe...) Show SMILES CCC(O)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)C(C)C)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H37F2N3O4S/c1-5-31(43)36(46)40-25-16-14-24(15-17-25)35-27(19-41(4)18-23-10-7-6-8-11-23)32-34(45)28(33(44)22(2)3)21-42(37(32)47-35)20-26-29(38)12-9-13-30(26)39/h6-17,21-22,31,43H,5,18-20H2,1-4H3,(H,40,46)	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 Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expressed in CHO cells				J Med Chem 49: 3809-25 (2006) Article DOI: 10.1021/jm0512894 BindingDB Entry DOI: 10.7270/Q2VQ33G8
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50189701 (3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobe...) Show SMILES CCC(O)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)C(C)C)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H37F2N3O4S/c1-5-31(43)36(46)40-25-16-14-24(15-17-25)35-27(19-41(4)18-23-10-7-6-8-11-23)32-34(45)28(33(44)22(2)3)21-42(37(32)47-35)20-26-29(38)12-9-13-30(26)39/h6-17,21-22,31,43H,5,18-20H2,1-4H3,(H,40,46)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]leuprorelin binding to rat anterior pituitary LHRH receptor				J Med Chem 49: 3809-25 (2006) Article DOI: 10.1021/jm0512894 BindingDB Entry DOI: 10.7270/Q2VQ33G8
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50189701 (3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobe...) Show SMILES CCC(O)C(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)cc(C(=O)C(C)C)c(=O)c2c1CN(C)Cc1ccccc1 Show InChI InChI=1S/C37H37F2N3O4S/c1-5-31(43)36(46)40-25-16-14-24(15-17-25)35-27(19-41(4)18-23-10-7-6-8-11-23)32-34(45)28(33(44)22(2)3)21-42(37(32)47-35)20-26-29(38)12-9-13-30(26)39/h6-17,21-22,31,43H,5,18-20H2,1-4H3,(H,40,46)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of LHRH-stimulated arachidonic acid release in CHO cells expressing monkey LHRH receptor				J Med Chem 49: 3809-25 (2006) Article DOI: 10.1021/jm0512894 BindingDB Entry DOI: 10.7270/Q2VQ33G8
					More data for this Ligand-Target Pair