BDBM50149261 3-((S)-2-Amino-3-phenyl-propyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione::CHEMBL117396

SMILES: COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)Cc2ccccc2)c1=O

InChI Key: InChIKey=VEZUKTIPDDOQAW-IBGZPJMESA-N

Data: 2 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 2 hits for monomerid = 50149261   

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))	BDBM50149261 (3-((S)-2-Amino-3-phenyl-propyl)-1-(2,6-difluoro-be...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)Cc2ccccc2)c1=O |wD:26.28,(15.8,4.99,;14.47,4.22,;14.47,2.68,;15.8,1.91,;15.8,.35,;14.47,-.4,;13.14,.37,;13.14,1.91,;11.81,2.68,;11.79,-.4,;11.79,-1.92,;13.12,-2.69,;10.46,-2.71,;10.46,-4.25,;11.79,-5.02,;11.79,-6.56,;10.45,-7.33,;13.12,-7.33,;14.45,-6.56,;14.45,-5.02,;13.12,-4.25,;14.21,-3.13,;9.13,-1.94,;7.79,-2.69,;9.13,-.38,;7.8,.39,;6.46,-.38,;5.13,.39,;6.46,-1.92,;5.12,-2.69,;3.79,-1.9,;2.46,-2.67,;2.46,-4.21,;3.79,-4.98,;5.12,-4.21,;10.46,.39,;10.48,1.93,)| Show InChI InChI=1S/C28H26F3N3O3/c1-17-25(20-10-6-13-24(37-2)26(20)31)27(35)34(15-19(32)14-18-8-4-3-5-9-18)28(36)33(17)16-21-22(29)11-7-12-23(21)30/h3-13,19H,14-16,32H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	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 for Human gonadotropin-releasing hormone receptor				J Med Chem 48: 1169-78 (2005) Article DOI: 10.1021/jm049218c BindingDB Entry DOI: 10.7270/Q2MK6CD8
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50149261 (3-((S)-2-Amino-3-phenyl-propyl)-1-(2,6-difluoro-be...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)Cc2ccccc2)c1=O |wD:26.28,(15.8,4.99,;14.47,4.22,;14.47,2.68,;15.8,1.91,;15.8,.35,;14.47,-.4,;13.14,.37,;13.14,1.91,;11.81,2.68,;11.79,-.4,;11.79,-1.92,;13.12,-2.69,;10.46,-2.71,;10.46,-4.25,;11.79,-5.02,;11.79,-6.56,;10.45,-7.33,;13.12,-7.33,;14.45,-6.56,;14.45,-5.02,;13.12,-4.25,;14.21,-3.13,;9.13,-1.94,;7.79,-2.69,;9.13,-.38,;7.8,.39,;6.46,-.38,;5.13,.39,;6.46,-1.92,;5.12,-2.69,;3.79,-1.9,;2.46,-2.67,;2.46,-4.21,;3.79,-4.98,;5.12,-4.21,;10.46,.39,;10.48,1.93,)| Show InChI InChI=1S/C28H26F3N3O3/c1-17-25(20-10-6-13-24(37-2)26(20)31)27(35)34(15-19(32)14-18-8-4-3-5-9-18)28(36)33(17)16-21-22(29)11-7-12-23(21)30/h3-13,19H,14-16,32H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	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 human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...				J Med Chem 47: 3483-6 (2004) Article DOI: 10.1021/jm049791w BindingDB Entry DOI: 10.7270/Q2HT2NTX
					More data for this Ligand-Target Pair