BDBM50505135 CHEMBL4453597

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

InChI Key: InChIKey=MRLAVLAOAGOTIA-SGNKCFNYSA-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 = 50505135   

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 (Rattus norvegicus (Rat))	BDBM50505135 (CHEMBL4453597) Show SMILES O[C@@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(cc2)C(F)(F)F)CC1 |r,wU:15.17,1.1,(40.37,-25.74,;40.37,-27.28,;39.04,-26.5,;37.71,-27.27,;36.3,-26.63,;35.27,-27.77,;36.03,-29.11,;37.54,-28.8,;33.73,-27.77,;32.81,-26.51,;31.35,-26.98,;31.34,-28.53,;32.81,-29.01,;40.37,-28.82,;41.7,-29.6,;43.03,-28.84,;44.36,-29.61,;45.7,-28.84,;45.7,-27.29,;47.03,-26.52,;48.36,-27.29,;48.37,-28.84,;47.03,-29.61,;49.69,-26.51,;51.03,-27.28,;49.69,-24.97,;51.02,-25.73,;43.04,-27.29,;41.71,-26.52,)| Show InChI InChI=1S/C21H22F3N3O2/c22-21(23,24)17-3-1-14(2-4-17)9-15-5-7-20(28,8-6-15)11-18-10-19(29-27-18)16-12-25-26-13-16/h1-4,10,12-13,15,28H,5-9,11H2,(H,25,26)/t15-,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-ifenprodil from NR2B receptor in rat brain cerebral cortex membranes incubated for 120 mins by liquid scintillation counting met...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017
					More data for this Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2B (Mus musculus)	BDBM50505135 (CHEMBL4453597) Show SMILES O[C@@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(cc2)C(F)(F)F)CC1 |r,wU:15.17,1.1,(40.37,-25.74,;40.37,-27.28,;39.04,-26.5,;37.71,-27.27,;36.3,-26.63,;35.27,-27.77,;36.03,-29.11,;37.54,-28.8,;33.73,-27.77,;32.81,-26.51,;31.35,-26.98,;31.34,-28.53,;32.81,-29.01,;40.37,-28.82,;41.7,-29.6,;43.03,-28.84,;44.36,-29.61,;45.7,-28.84,;45.7,-27.29,;47.03,-26.52,;48.36,-27.29,;48.37,-28.84,;47.03,-29.61,;49.69,-26.51,;51.03,-27.28,;49.69,-24.97,;51.02,-25.73,;43.04,-27.29,;41.71,-26.52,)| Show InChI InChI=1S/C21H22F3N3O2/c22-21(23,24)17-3-1-14(2-4-17)9-15-5-7-20(28,8-6-15)11-18-10-19(29-27-18)16-12-25-26-13-16/h1-4,10,12-13,15,28H,5-9,11H2,(H,25,26)/t15-,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017
					More data for this Ligand-Target Pair