BDBM50269772 CHEMBL4094573

SMILES: O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccccc2)CC1

InChI Key: InChIKey=KNBMOQSAHMMLCJ-MIRVZWSXSA-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 = 50269772   

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
Ionotropic glutamate receptor NMDA1/2B (Mus musculus)	BDBM50269772 (CHEMBL4094573) Show SMILES O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccccc2)CC1 |r,wD:1.0,18.20,(12.23,-7.56,;13,-8.9,;11.46,-8.9,;10.69,-10.23,;11.46,-11.57,;9.15,-10.23,;8.38,-11.57,;9.16,-12.89,;8.4,-14.22,;6.85,-14.23,;5.82,-15.38,;4.41,-14.75,;3.08,-15.53,;4.56,-13.22,;6.07,-12.89,;6.85,-11.56,;14.33,-8.12,;15.66,-8.9,;15.66,-10.44,;17,-11.21,;18.33,-10.44,;19.66,-11.22,;20.99,-10.45,;21,-8.91,;19.65,-8.14,;18.33,-8.91,;14.33,-11.2,;13,-10.44,)| Show InChI InChI=1S/C22H24N2O4/c25-20(23-17-6-7-18-19(13-17)28-21(26)24-18)14-22(27)10-8-16(9-11-22)12-15-4-2-1-3-5-15/h1-7,13,16,27H,8-12,14H2,(H,23,25)(H,24,26)/t16-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	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))	BDBM50269772 (CHEMBL4094573) Show SMILES O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccccc2)CC1 |r,wD:1.0,18.20,(12.23,-7.56,;13,-8.9,;11.46,-8.9,;10.69,-10.23,;11.46,-11.57,;9.15,-10.23,;8.38,-11.57,;9.16,-12.89,;8.4,-14.22,;6.85,-14.23,;5.82,-15.38,;4.41,-14.75,;3.08,-15.53,;4.56,-13.22,;6.07,-12.89,;6.85,-11.56,;14.33,-8.12,;15.66,-8.9,;15.66,-10.44,;17,-11.21,;18.33,-10.44,;19.66,-11.22,;20.99,-10.45,;21,-8.91,;19.65,-8.14,;18.33,-8.91,;14.33,-11.2,;13,-10.44,)| Show InChI InChI=1S/C22H24N2O4/c25-20(23-17-6-7-18-19(13-17)28-21(26)24-18)14-22(27)10-8-16(9-11-22)12-15-4-2-1-3-5-15/h1-7,13,16,27H,8-12,14H2,(H,23,25)(H,24,26)/t16-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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