BDBM50269758 CHEMBL4103723

SMILES: O[C@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(F)cc2)CC1

InChI Key: InChIKey=OCOUQAJDGFNHSQ-GSXCWMCISA-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 = 50269758   

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)	BDBM50269758 (CHEMBL4103723) Show SMILES O[C@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(F)cc2)CC1 |r,wD:1.0,15.17,(15.19,-7.36,;15.96,-8.7,;14.42,-8.7,;13.65,-10.03,;12.12,-10.19,;11.8,-11.69,;13.13,-12.46,;14.28,-11.43,;10.39,-12.32,;9.05,-11.55,;7.91,-12.58,;8.54,-13.99,;10.07,-13.83,;17.29,-7.92,;18.62,-8.7,;18.62,-10.24,;19.95,-11.01,;21.29,-10.24,;22.62,-11.01,;23.95,-10.25,;23.95,-8.7,;25.29,-7.93,;22.61,-7.93,;21.28,-8.7,;17.29,-11,;15.96,-10.24,)| Show InChI InChI=1S/C20H22FN3O2/c21-17-3-1-14(2-4-17)9-15-5-7-20(25,8-6-15)11-18-10-19(26-24-18)16-12-22-23-13-16/h1-4,10,12-13,15,25H,5-9,11H2,(H,22,23)/t15-,20+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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))	BDBM50269758 (CHEMBL4103723) Show SMILES O[C@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(F)cc2)CC1 |r,wD:1.0,15.17,(15.19,-7.36,;15.96,-8.7,;14.42,-8.7,;13.65,-10.03,;12.12,-10.19,;11.8,-11.69,;13.13,-12.46,;14.28,-11.43,;10.39,-12.32,;9.05,-11.55,;7.91,-12.58,;8.54,-13.99,;10.07,-13.83,;17.29,-7.92,;18.62,-8.7,;18.62,-10.24,;19.95,-11.01,;21.29,-10.24,;22.62,-11.01,;23.95,-10.25,;23.95,-8.7,;25.29,-7.93,;22.61,-7.93,;21.28,-8.7,;17.29,-11,;15.96,-10.24,)| Show InChI InChI=1S/C20H22FN3O2/c21-17-3-1-14(2-4-17)9-15-5-7-20(25,8-6-15)11-18-10-19(26-24-18)16-12-22-23-13-16/h1-4,10,12-13,15,25H,5-9,11H2,(H,22,23)/t15-,20+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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