BindingDB PrimarySearch

BDBM50032651 1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl)-4-phenylpiperidin-4-ol::1-[(1S,2S)-2-Hydroxy-2-(4-hydroxy-phenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol::1-[(S)-2-(S)-Hydroxy-2-(4-hydroxy-phenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol::CHEMBL17350::CP-101,606::CP-101606::TRAXOPRODIL

SMILES: C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1

InChI Key: InChIKey=QEMSVZNTSXPFJA-HNAYVOBHSA-N

Data: 4 KI 14 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50032651
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
AstraZeneca Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by PDSP K_i Database									J Neurochem 70: 2147-55 (1998) Article DOI: 10.1046/j.1471-4159.1998.70052147.x BindingDB Entry DOI: 10.7270/Q2KP80Q7
F. Hoffmann-La Roche Ltd. Curated by PDSP K_i Database					More data for this Ligand-Target Pair
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells				Bioorg Med Chem Lett 13: 693-6 (2003) BindingDB Entry DOI: 10.7270/Q2KK9D95
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP K_i Database									Life Sci 73: 371-9 (2003) Article DOI: 10.1016/s0024-3205(03)00272-8 BindingDB Entry DOI: 10.7270/Q2KD1WHW
Merck Research Laboratories Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25,6981 from NR2B NMDA receptor in rat forebrain				J Med Chem 50: 901-14 (2007) Article DOI: 10.1021/jm060420k BindingDB Entry DOI: 10.7270/Q2DV1JJ4
Gedeon Richter Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Ltd. Curated by ChEMBL					Assay Description Antagonist activity at NR2B NMDA receptor in Wistar rat neocortical cells assessed as inhibition of NMDA-evoked elevation of intracellular calcium co...				J Med Chem 50: 901-14 (2007) Article DOI: 10.1021/jm060420k BindingDB Entry DOI: 10.7270/Q2DV1JJ4
Gedeon Richter Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-1 adrenergic receptor using [3H]prazosin as radioligand				J Med Chem 38: 3138-45 (1995) Article DOI: 10.1021/jm00016a017 BindingDB Entry DOI: 10.7270/Q22J6FJK
Pfizer Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane				Bioorg Med Chem Lett 17: 5558-62 (2007) Article DOI: 10.1016/j.bmcl.2007.08.014 BindingDB Entry DOI: 10.7270/Q2R21138
Pfizer Global Research & Development Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]bufuralol from CYP2D6				Bioorg Med Chem Lett 17: 5558-62 (2007) Article DOI: 10.1016/j.bmcl.2007.08.014 BindingDB Entry DOI: 10.7270/Q2R21138
Pfizer Global Research & Development Curated by ChEMBL					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human NR2B expressed in HEK293 cells assessed as glutamate-induced changes in intracellular calcium concentration				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
AstraZeneca Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Iinhibition of CYP2D6				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
AstraZeneca Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Iinhibition of CYP3A4				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
AstraZeneca Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-1 adrenergic receptor using [3H]prazosin as radioligand				J Med Chem 38: 3138-45 (1995) Article DOI: 10.1021/jm00016a017 BindingDB Entry DOI: 10.7270/Q22J6FJK
Pfizer Inc Curated by ChEMBL					More data for this Ligand-Target Pair
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Ltd Curated by ChEMBL					Assay Description Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor				Bioorg Med Chem Lett 14: 3953-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.053 BindingDB Entry DOI: 10.7270/Q2FT8KG8
Gedeon Richter Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1 (Rattus norvegicus (Rat)-RAT)	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2A.				J Med Chem 42: 3412-20 (1999) Article DOI: 10.1021/jm990199u BindingDB Entry DOI: 10.7270/Q2RR1XFD
University of Oregon Curated by ChEMBL					More data for this Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1 (RAT-Rattus norvegicus (Rat))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2C.				J Med Chem 42: 3412-20 (1999) Article DOI: 10.1021/jm990199u BindingDB Entry DOI: 10.7270/Q2RR1XFD
University of Oregon Curated by ChEMBL					More data for this Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1 (Rattus norvegicus (Rat)-RAT)	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2B.				J Med Chem 42: 3412-20 (1999) Article DOI: 10.1021/jm990199u BindingDB Entry DOI: 10.7270/Q2RR1XFD
University of Oregon Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]bufuralol from hERG channel expressed in HEK293 cells				Bioorg Med Chem Lett 17: 5558-62 (2007) Article DOI: 10.1016/j.bmcl.2007.08.014 BindingDB Entry DOI: 10.7270/Q2R21138
Pfizer Global Research & Development Curated by ChEMBL					More data for this Ligand-Target Pair