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SMILES: COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)CCc2ccccc2)c1=O

InChI Key: InChIKey=DIYJIVUMGPNOJA-FQEVSTJZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50149257   

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))	BDBM50149257 (3-((S)-2-Amino-4-phenyl-butyl)-1-(2,6-difluoro-ben...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)CCc2ccccc2)c1=O |wD:26.28,(13.94,6.45,;12.6,5.67,;12.6,4.13,;13.94,3.36,;13.94,1.82,;12.6,1.04,;11.27,1.82,;11.27,3.36,;9.94,4.14,;9.92,1.07,;9.92,-.48,;11.25,-1.25,;8.59,-1.26,;8.59,-2.81,;9.92,-3.58,;11.25,-2.79,;12.35,-1.69,;12.59,-3.56,;12.59,-5.12,;11.25,-5.89,;9.92,-5.12,;8.58,-5.89,;7.26,-.48,;5.92,-1.25,;7.26,1.07,;5.92,1.84,;4.57,1.08,;3.25,1.85,;4.57,-.47,;3.23,-1.24,;3.23,-2.77,;1.92,-3.53,;1.92,-5.06,;3.25,-5.82,;4.57,-5.05,;4.57,-3.52,;8.59,1.84,;8.6,3.38,)| Show InChI InChI=1S/C29H28F3N3O3/c1-18-26(21-10-6-13-25(38-2)27(21)32)28(36)35(16-20(33)15-14-19-8-4-3-5-9-19)29(37)34(18)17-22-23(30)11-7-12-24(22)31/h3-13,20H,14-17,33H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	965	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