BDBM50269782 CHEMBL4091437

SMILES: O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(OC(F)(F)F)cc2)CC1

InChI Key: InChIKey=XGGIYXZDIKGFST-FVUUGDKNSA-N

Data: 2 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 2 hits for monomerid = 50269782   

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
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50269782 (CHEMBL4091437) Show SMILES O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(OC(F)(F)F)cc2)CC1 |r,wD:1.0,18.20,(14.03,-10.36,;14.8,-11.7,;13.26,-11.7,;12.49,-13.03,;13.26,-14.37,;10.95,-13.03,;10.18,-14.37,;10.96,-15.69,;10.19,-17.02,;8.65,-17.03,;7.62,-18.18,;6.2,-17.55,;4.87,-18.33,;6.36,-16.02,;7.87,-15.69,;8.65,-14.36,;16.13,-10.92,;17.46,-11.7,;17.46,-13.24,;18.79,-14.01,;20.13,-13.24,;21.46,-14.02,;22.79,-13.25,;22.79,-11.71,;24.13,-10.94,;25.46,-11.71,;26.79,-10.94,;25.46,-13.25,;26.79,-12.48,;21.45,-10.94,;20.12,-11.71,;16.13,-14,;14.8,-13.24,)| Show InChI InChI=1S/C23H23F3N2O5/c24-23(25,26)33-17-4-1-14(2-5-17)11-15-7-9-22(31,10-8-15)13-20(29)27-16-3-6-18-19(12-16)32-21(30)28-18/h1-6,12,15,31H,7-11,13H2,(H,27,29)(H,28,30)/t15-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracell...				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50269782 (CHEMBL4091437) Show SMILES O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(OC(F)(F)F)cc2)CC1 |r,wD:1.0,18.20,(14.03,-10.36,;14.8,-11.7,;13.26,-11.7,;12.49,-13.03,;13.26,-14.37,;10.95,-13.03,;10.18,-14.37,;10.96,-15.69,;10.19,-17.02,;8.65,-17.03,;7.62,-18.18,;6.2,-17.55,;4.87,-18.33,;6.36,-16.02,;7.87,-15.69,;8.65,-14.36,;16.13,-10.92,;17.46,-11.7,;17.46,-13.24,;18.79,-14.01,;20.13,-13.24,;21.46,-14.02,;22.79,-13.25,;22.79,-11.71,;24.13,-10.94,;25.46,-11.71,;26.79,-10.94,;25.46,-13.25,;26.79,-12.48,;21.45,-10.94,;20.12,-11.71,;16.13,-14,;14.8,-13.24,)| Show InChI InChI=1S/C23H23F3N2O5/c24-23(25,26)33-17-4-1-14(2-5-17)11-15-7-9-22(31,10-8-15)13-20(29)27-16-3-6-18-19(12-16)32-21(30)28-18/h1-6,12,15,31H,7-11,13H2,(H,27,29)(H,28,30)/t15-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Displacement of [3H]-ifenprodil from NR2B in Wistar rat brain membrane after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair