BDBM50168695 2-[3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-3-methoxy-phenyl)-2,4,6-trioxo-[1,3,5]triazinan-1-ylmethyl]-benzonitrile::CHEMBL175443

SMILES: COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2C#N)c1=O

InChI Key: InChIKey=BZOJHIQSCLXVAL-FQEVSTJZSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50168695   

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))	BDBM50168695 (2-[3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-3-me...) Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2C#N)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-3.31,-3.93,;-4.64,-3.16,;-4.64,-1.61,;-3.31,-.84,;-1.96,-1.61,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;4.71,-10.08,;6.05,-10.83,;7.38,-10.06,;7.37,-8.52,;6.04,-7.75,;7.12,-6.66,;8.22,-5.56,;4.71,-5.46,;6.05,-6.21,)| Show InChI InChI=1S/C26H22FN5O4/c1-36-22-13-7-12-21(23(22)27)32-25(34)30(15-19-11-6-5-10-18(19)14-28)24(33)31(26(32)35)16-20(29)17-8-3-2-4-9-17/h2-13,20H,15-16,29H2,1H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...				Bioorg Med Chem Lett 15: 3685-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.038 BindingDB Entry DOI: 10.7270/Q2DZ07TN
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50168695 (2-[3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-3-me...) Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2C#N)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-3.31,-3.93,;-4.64,-3.16,;-4.64,-1.61,;-3.31,-.84,;-1.96,-1.61,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;4.71,-10.08,;6.05,-10.83,;7.38,-10.06,;7.37,-8.52,;6.04,-7.75,;7.12,-6.66,;8.22,-5.56,;4.71,-5.46,;6.05,-6.21,)| Show InChI InChI=1S/C26H22FN5O4/c1-36-22-13-7-12-21(23(22)27)32-25(34)30(15-19-11-6-5-10-18(19)14-28)24(33)31(26(32)35)16-20(29)17-8-3-2-4-9-17/h2-13,20H,15-16,29H2,1H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition constant against monkey GnRH receptor				Bioorg Med Chem Lett 15: 3685-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.038 BindingDB Entry DOI: 10.7270/Q2DZ07TN
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50168695 (2-[3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-3-me...) Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2C#N)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-3.31,-3.93,;-4.64,-3.16,;-4.64,-1.61,;-3.31,-.84,;-1.96,-1.61,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;4.71,-10.08,;6.05,-10.83,;7.38,-10.06,;7.37,-8.52,;6.04,-7.75,;7.12,-6.66,;8.22,-5.56,;4.71,-5.46,;6.05,-6.21,)| Show InChI InChI=1S/C26H22FN5O4/c1-36-22-13-7-12-21(23(22)27)32-25(34)30(15-19-11-6-5-10-18(19)14-28)24(33)31(26(32)35)16-20(29)17-8-3-2-4-9-17/h2-13,20H,15-16,29H2,1H3/t20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+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 Inhibition constant against rat GnRH receptor				Bioorg Med Chem Lett 15: 3685-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.038 BindingDB Entry DOI: 10.7270/Q2DZ07TN
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50168695 (2-[3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-3-me...) Show SMILES COc1cccc(c1F)-n1c(=O)n(C[C@H](N)c2ccccc2)c(=O)n(Cc2ccccc2C#N)c1=O |wD:14.15,(8.68,1.49,;7.35,.72,;7.36,-.82,;8.7,-1.59,;8.7,-3.13,;7.37,-3.9,;6.04,-3.13,;6.03,-1.61,;4.7,-.85,;4.71,-3.92,;3.37,-3.15,;3.37,-1.61,;2.04,-3.92,;.71,-3.15,;-.62,-3.93,;-1.4,-5.26,;-1.96,-3.16,;-3.31,-3.93,;-4.64,-3.16,;-4.64,-1.61,;-3.31,-.84,;-1.96,-1.61,;2.04,-5.46,;.71,-6.23,;3.38,-6.23,;3.38,-7.77,;4.72,-8.54,;4.71,-10.08,;6.05,-10.83,;7.38,-10.06,;7.37,-8.52,;6.04,-7.75,;7.12,-6.66,;8.22,-5.56,;4.71,-5.46,;6.05,-6.21,)| Show InChI InChI=1S/C26H22FN5O4/c1-36-22-13-7-12-21(23(22)27)32-25(34)30(15-19-11-6-5-10-18(19)14-28)24(33)31(26(32)35)16-20(29)17-8-3-2-4-9-17/h2-13,20H,15-16,29H2,1H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human GnRH receptor stimulated inositol phosphate accumulation in RBL cells				Bioorg Med Chem Lett 15: 3685-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.038 BindingDB Entry DOI: 10.7270/Q2DZ07TN
					More data for this Ligand-Target Pair