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SMILES: Cc1noc(C)c1CNCC1CCC(CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)CC1

InChI Key: InChIKey=PURARAFMFBMOOV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50121084   

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))	BDBM50121084 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1noc(C)c1CNCC1CCC(CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)CC1 |(2.34,1.95,;3.11,3.28,;2.5,4.71,;3.65,5.72,;4.98,4.94,;6.39,5.55,;4.64,3.43,;5.65,2.28,;5.18,.82,;6.21,-.33,;7.72,-.03,;8.73,-1.19,;10.23,-.89,;10.74,.56,;12.25,.86,;13.26,-.29,;12.76,-1.75,;11.25,-2.05,;13.77,-2.92,;15.31,-2.76,;15.94,-4.15,;14.78,-5.19,;14.78,-6.73,;13.42,-7.5,;12.09,-6.73,;10.76,-7.5,;10.76,-9.04,;12.09,-9.81,;13.42,-9.04,;14.78,-9.83,;9.43,-9.81,;10.53,-10.9,;7.94,-10.22,;8.08,-9.04,;8.08,-7.5,;9.43,-6.73,;8.08,-5.96,;10.76,-5.96,;13.45,-4.42,;9.73,1.73,;8.31,1.56,)| Show InChI InChI=1S/C35H49N3O3/c1-22-16-30-31(35(6,7)15-14-34(30,4)5)18-27(22)17-28-12-13-32(40-28)33(39)37-20-26-10-8-25(9-11-26)19-36-21-29-23(2)38-41-24(29)3/h12-13,16,18,25-26,36H,8-11,14-15,17,19-21H2,1-7H3,(H,37,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity to human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3467-70 (2002) BindingDB Entry DOI: 10.7270/Q20K27X7
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121084 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1noc(C)c1CNCC1CCC(CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)CC1 |(2.34,1.95,;3.11,3.28,;2.5,4.71,;3.65,5.72,;4.98,4.94,;6.39,5.55,;4.64,3.43,;5.65,2.28,;5.18,.82,;6.21,-.33,;7.72,-.03,;8.73,-1.19,;10.23,-.89,;10.74,.56,;12.25,.86,;13.26,-.29,;12.76,-1.75,;11.25,-2.05,;13.77,-2.92,;15.31,-2.76,;15.94,-4.15,;14.78,-5.19,;14.78,-6.73,;13.42,-7.5,;12.09,-6.73,;10.76,-7.5,;10.76,-9.04,;12.09,-9.81,;13.42,-9.04,;14.78,-9.83,;9.43,-9.81,;10.53,-10.9,;7.94,-10.22,;8.08,-9.04,;8.08,-7.5,;9.43,-6.73,;8.08,-5.96,;10.76,-5.96,;13.45,-4.42,;9.73,1.73,;8.31,1.56,)| Show InChI InChI=1S/C35H49N3O3/c1-22-16-30-31(35(6,7)15-14-34(30,4)5)18-27(22)17-28-12-13-32(40-28)33(39)37-20-26-10-8-25(9-11-26)19-36-21-29-23(2)38-41-24(29)3/h12-13,16,18,25-26,36H,8-11,14-15,17,19-21H2,1-7H3,(H,37,39)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to rat gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3467-70 (2002) BindingDB Entry DOI: 10.7270/Q20K27X7
					More data for this Ligand-Target Pair