BDBM50116222 2-(4-Butyrylamino-phenyl)-8-(2-fluoro-benzyl)-3-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-5-oxo-5,8-dihydro-imidazo[1,2-a]pyrimidine-6-carboxylic acid 1-ethyl-propyl ester::CHEMBL302769::pentan-3-yl 8-(2-fluorobenzyl)-2-(4-butyramidophenyl)-3-((methyl(2-(pyridin-2-yl)ethyl)amino)methyl)-5-oxo-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate

SMILES: CCCC(=O)Nc1ccc(cc1)-c1nc2n(Cc3ccccc3F)cc(C(=O)OC(CC)CC)c(=O)n2c1CN(C)CCc1ccccn1

InChI Key: InChIKey=KAOJJKZOAZBHGI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50116222   

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))	BDBM50116222 (2-(4-Butyrylamino-phenyl)-8-(2-fluoro-benzyl)-3-{[...) Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nc2n(Cc3ccccc3F)cc(C(=O)OC(CC)CC)c(=O)n2c1CN(C)CCc1ccccn1 Show InChI InChI=1S/C38H43FN6O4/c1-5-12-34(46)41-29-18-16-26(17-19-29)35-33(25-43(4)22-20-28-14-10-11-21-40-28)45-36(47)31(37(48)49-30(6-2)7-3)24-44(38(45)42-35)23-27-13-8-9-15-32(27)39/h8-11,13-19,21,24,30H,5-7,12,20,22-23,25H2,1-4H3,(H,41,46)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.5	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 [I125-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the cloned human Gonadotropin-releasing hormone receptor was evaluated				Bioorg Med Chem Lett 12: 2179-83 (2002) BindingDB Entry DOI: 10.7270/Q28S4P8D
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50116222 (2-(4-Butyrylamino-phenyl)-8-(2-fluoro-benzyl)-3-{[...) Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nc2n(Cc3ccccc3F)cc(C(=O)OC(CC)CC)c(=O)n2c1CN(C)CCc1ccccn1 Show InChI InChI=1S/C38H43FN6O4/c1-5-12-34(46)41-29-18-16-26(17-19-29)35-33(25-43(4)22-20-28-14-10-11-21-40-28)45-36(47)31(37(48)49-30(6-2)7-3)24-44(38(45)42-35)23-27-13-8-9-15-32(27)39/h8-11,13-19,21,24,30H,5-7,12,20,22-23,25H2,1-4H3,(H,41,46)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	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))	BDBM50116222 (2-(4-Butyrylamino-phenyl)-8-(2-fluoro-benzyl)-3-{[...) Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nc2n(Cc3ccccc3F)cc(C(=O)OC(CC)CC)c(=O)n2c1CN(C)CCc1ccccn1 Show InChI InChI=1S/C38H43FN6O4/c1-5-12-34(46)41-29-18-16-26(17-19-29)35-33(25-43(4)22-20-28-14-10-11-21-40-28)45-36(47)31(37(48)49-30(6-2)7-3)24-44(38(45)42-35)23-27-13-8-9-15-32(27)39/h8-11,13-19,21,24,30H,5-7,12,20,22-23,25H2,1-4H3,(H,41,46)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.5	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 evaluated in cloned human Gonadotropin-releasing hormone receptor by displacement of [125 I-Tyr, DLeu, NMeLeu, Pro-NEt]GnRH agonist				Bioorg Med Chem Lett 12: 2185-7 (2002) BindingDB Entry DOI: 10.7270/Q2513XJ0
					More data for this Ligand-Target Pair