BDBM50132726 (R)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-methyl-3-(2-(methyl(pyridin-2-ylmethyl)amino)propyl)pyrimidine-2,4(1H,3H)-dione::1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-methyl-3-[(R)-2-(methyl-pyridin-2-ylmethyl-amino)-propyl]-1H-pyrimidine-2,4-dione::CHEMBL112466

SMILES: COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N(C)Cc2ccccn2)c1=O

InChI Key: InChIKey=ACHAWAOSLYJAMP-LJQANCHMSA-N

Data: 6 KI

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 = 50132726   

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))	BDBM50132726 ((R)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-m...) Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N(C)Cc2ccccn2)c1=O |r| Show InChI InChI=1S/C29H30F2N4O3/c1-19(33(3)17-22-10-5-6-14-32-22)16-35-28(36)27(21-9-7-11-23(15-21)38-4)20(2)34(29(35)37)18-24-25(30)12-8-13-26(24)31/h5-15,19H,16-18H2,1-4H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...				Bioorg Med Chem Lett 14: 4967-73 (2004) Article DOI: 10.1016/j.bmcl.2004.07.022 BindingDB Entry DOI: 10.7270/Q2FF3RT4
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50132726 ((R)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-m...) Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N(C)Cc2ccccn2)c1=O |r| Show InChI InChI=1S/C29H30F2N4O3/c1-19(33(3)17-22-10-5-6-14-32-22)16-35-28(36)27(21-9-7-11-23(15-21)38-4)20(2)34(29(35)37)18-24-25(30)12-8-13-26(24)31/h5-15,19H,16-18H2,1-4H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity was determined against human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 15: 1407-11 (2005) Article DOI: 10.1016/j.bmcl.2005.01.009 BindingDB Entry DOI: 10.7270/Q2T72GZK
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50132726 ((R)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-m...) Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N(C)Cc2ccccn2)c1=O |r| Show InChI InChI=1S/C29H30F2N4O3/c1-19(33(3)17-22-10-5-6-14-32-22)16-35-28(36)27(21-9-7-11-23(15-21)38-4)20(2)34(29(35)37)18-24-25(30)12-8-13-26(24)31/h5-15,19H,16-18H2,1-4H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity at human GnRH receptor				J Med Chem 51: 3331-48 (2008) Article DOI: 10.1021/jm701249f BindingDB Entry DOI: 10.7270/Q2KD1XQ0
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50132726 ((R)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-m...) Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N(C)Cc2ccccn2)c1=O |r| Show InChI InChI=1S/C29H30F2N4O3/c1-19(33(3)17-22-10-5-6-14-32-22)16-35-28(36)27(21-9-7-11-23(15-21)38-4)20(2)34(29(35)37)18-24-25(30)12-8-13-26(24)31/h5-15,19H,16-18H2,1-4H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor ...				Bioorg Med Chem Lett 13: 3311-5 (2003) BindingDB Entry DOI: 10.7270/Q2ST7P73
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50132726 ((R)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-m...) Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N(C)Cc2ccccn2)c1=O |r| Show InChI InChI=1S/C29H30F2N4O3/c1-19(33(3)17-22-10-5-6-14-32-22)16-35-28(36)27(21-9-7-11-23(15-21)38-4)20(2)34(29(35)37)18-24-25(30)12-8-13-26(24)31/h5-15,19H,16-18H2,1-4H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity towards monkey gonadotropin releasing hormone receptor				Bioorg Med Chem Lett 13: 3311-5 (2003) BindingDB Entry DOI: 10.7270/Q2ST7P73
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50132726 ((R)-1-(2,6-difluorobenzyl)-5-(3-methoxyphenyl)-6-m...) Show SMILES COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)N(C)Cc2ccccn2)c1=O |r| Show InChI InChI=1S/C29H30F2N4O3/c1-19(33(3)17-22-10-5-6-14-32-22)16-35-28(36)27(21-9-7-11-23(15-21)38-4)20(2)34(29(35)37)18-24-25(30)12-8-13-26(24)31/h5-15,19H,16-18H2,1-4H3/t19-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity towards rat GnRH gonadotropin releasing hormone receptor				Bioorg Med Chem Lett 13: 3311-5 (2003) BindingDB Entry DOI: 10.7270/Q2ST7P73
					More data for this Ligand-Target Pair