Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50043855   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50124908 (CHEMBL159560 | N-(2-Methoxy-benzyl)-4-trifluoromet...) Show SMILES COc1ccccc1CN=C(N)c1ccc(OC(F)(F)F)cc1 |w:9.9| Show InChI InChI=1S/C16H15F3N2O2/c1-22-14-5-3-2-4-12(14)10-21-15(20)11-6-8-13(9-7-11)23-16(17,18)19/h2-9H,10H2,1H3,(H2,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry				Bioorg Med Chem Lett 24: 828-30 (2014) Article DOI: 10.1016/j.bmcl.2013.12.087 BindingDB Entry DOI: 10.7270/Q2XK8H20
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50447405 (CHEMBL3114914) Show SMILES NC(=NCc1cccc(F)c1)c1ccc(OC(F)(F)F)cc1 |w:2.2| Show InChI InChI=1S/C15H12F4N2O/c16-12-3-1-2-10(8-12)9-21-14(20)11-4-6-13(7-5-11)22-15(17,18)19/h1-8H,9H2,(H2,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry				Bioorg Med Chem Lett 24: 828-30 (2014) Article DOI: 10.1016/j.bmcl.2013.12.087 BindingDB Entry DOI: 10.7270/Q2XK8H20
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50447403 (CHEMBL3114912) Show SMILES NC(=NCc1cc(F)cc(F)c1)c1ccc(OC(F)(F)F)cc1 |w:2.2| Show InChI InChI=1S/C15H11F5N2O/c16-11-5-9(6-12(17)7-11)8-22-14(21)10-1-3-13(4-2-10)23-15(18,19)20/h1-7H,8H2,(H2,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry				Bioorg Med Chem Lett 24: 828-30 (2014) Article DOI: 10.1016/j.bmcl.2013.12.087 BindingDB Entry DOI: 10.7270/Q2XK8H20
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50447409 (CHEMBL3114918) Show SMILES COc1ccc(OC)c(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1 |w:10.9| Show InChI InChI=1S/C17H17F3N2O3/c1-23-14-7-8-15(24-2)12(9-14)10-22-16(21)11-3-5-13(6-4-11)25-17(18,19)20/h3-9H,10H2,1-2H3,(H2,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry				Bioorg Med Chem Lett 24: 828-30 (2014) Article DOI: 10.1016/j.bmcl.2013.12.087 BindingDB Entry DOI: 10.7270/Q2XK8H20
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50124907 (4-trifluoromethoxy-N-(2-trifluoromethyl-benzyl)-be...) Show SMILES NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 |w:2.2| Show InChI InChI=1S/C16H12F6N2O/c17-15(18,19)13-4-2-1-3-11(13)9-24-14(23)10-5-7-12(8-6-10)25-16(20,21)22/h1-8H,9H2,(H2,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry				Bioorg Med Chem Lett 24: 828-30 (2014) Article DOI: 10.1016/j.bmcl.2013.12.087 BindingDB Entry DOI: 10.7270/Q2XK8H20
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50447404 (CHEMBL3114913) Show SMILES NC(=NCc1ccc(F)c(F)c1)c1ccc(OC(F)(F)F)cc1 |w:2.2| Show InChI InChI=1S/C15H11F5N2O/c16-12-6-1-9(7-13(12)17)8-22-14(21)10-2-4-11(5-3-10)23-15(18,19)20/h1-7H,8H2,(H2,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry				Bioorg Med Chem Lett 24: 828-30 (2014) Article DOI: 10.1016/j.bmcl.2013.12.087 BindingDB Entry DOI: 10.7270/Q2XK8H20
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50447410 (CHEMBL3114917) Show SMILES COc1ccc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c(OC)c1 |w:7.6| Show InChI InChI=1S/C17H17F3N2O3/c1-23-14-8-5-12(15(9-14)24-2)10-22-16(21)11-3-6-13(7-4-11)25-17(18,19)20/h3-9H,10H2,1-2H3,(H2,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry				Bioorg Med Chem Lett 24: 828-30 (2014) Article DOI: 10.1016/j.bmcl.2013.12.087 BindingDB Entry DOI: 10.7270/Q2XK8H20
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50447408 (CHEMBL3114919) Show SMILES COc1cc(CN=C(N)c2ccc(OC(F)(F)F)cc2)cc(OC)c1 |w:6.5| Show InChI InChI=1S/C17H17F3N2O3/c1-23-14-7-11(8-15(9-14)24-2)10-22-16(21)12-3-5-13(6-4-12)25-17(18,19)20/h3-9H,10H2,1-2H3,(H2,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry				Bioorg Med Chem Lett 24: 828-30 (2014) Article DOI: 10.1016/j.bmcl.2013.12.087 BindingDB Entry DOI: 10.7270/Q2XK8H20
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50447406 (CHEMBL3114915) Show SMILES NC(=NCc1ccc2OCOc2c1)c1ccc(OC(F)(F)F)cc1 |w:2.2| Show InChI InChI=1S/C16H13F3N2O3/c17-16(18,19)24-12-4-2-11(3-5-12)15(20)21-8-10-1-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2,(H2,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry				Bioorg Med Chem Lett 24: 828-30 (2014) Article DOI: 10.1016/j.bmcl.2013.12.087 BindingDB Entry DOI: 10.7270/Q2XK8H20
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50447402 (CHEMBL3114911) Show SMILES FC(F)(F)Oc1ccc(cc1)C(=N)NCC12C3C4C5C3C1C5C24 |(22.85,-30.48,;24.18,-29.7,;22.83,-28.93,;24.17,-28.16,;25.51,-30.47,;26.84,-29.69,;28.18,-30.45,;29.51,-29.67,;29.5,-28.14,;28.16,-27.38,;26.83,-28.15,;30.83,-27.37,;30.82,-25.83,;32.16,-28.13,;33.49,-27.36,;34.81,-28.11,;36.64,-27.49,;37.15,-29.38,;37.81,-29.67,;37.31,-27.77,;35.47,-28.41,;35.97,-30.3,;35.31,-30.01,)| Show InChI InChI=1S/C17H15F3N2O/c18-17(19,20)23-7-3-1-6(2-4-7)15(21)22-5-16-12-9-8-10(12)14(16)11(8)13(9)16/h1-4,8-14H,5H2,(H2,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry				Bioorg Med Chem Lett 24: 828-30 (2014) Article DOI: 10.1016/j.bmcl.2013.12.087 BindingDB Entry DOI: 10.7270/Q2XK8H20
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50447411 (CHEMBL3114916) Show SMILES COc1cccc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1OC |w:8.7| Show InChI InChI=1S/C17H17F3N2O3/c1-23-14-5-3-4-12(15(14)24-2)10-22-16(21)11-6-8-13(9-7-11)25-17(18,19)20/h3-9H,10H2,1-2H3,(H2,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	303	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry				Bioorg Med Chem Lett 24: 828-30 (2014) Article DOI: 10.1016/j.bmcl.2013.12.087 BindingDB Entry DOI: 10.7270/Q2XK8H20
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50447407 (CHEMBL3114920) Show SMILES COc1cc(CN=C(N)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC |w:6.5| Show InChI InChI=1S/C18H19F3N2O4/c1-24-14-8-11(9-15(25-2)16(14)26-3)10-23-17(22)12-4-6-13(7-5-12)27-18(19,20)21/h4-9H,10H2,1-3H3,(H2,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry				Bioorg Med Chem Lett 24: 828-30 (2014) Article DOI: 10.1016/j.bmcl.2013.12.087 BindingDB Entry DOI: 10.7270/Q2XK8H20
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50447401 (CHEMBL3114910) Show SMILES NC(=NCC12CC3CC(CC(C3)C1)C2)c1ccc(OC(F)(F)F)cc1 |w:2.2,TLB:7:8:6.5.11:12,THB:7:6:8.13.9:12,9:8:5:11.10.12,9:10:7.8.13:5| Show InChI InChI=1S/C19H23F3N2O/c20-19(21,22)25-16-3-1-15(2-4-16)17(23)24-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H2,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry				Bioorg Med Chem Lett 24: 828-30 (2014) Article DOI: 10.1016/j.bmcl.2013.12.087 BindingDB Entry DOI: 10.7270/Q2XK8H20
					More data for this Ligand-Target Pair