Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50032453   

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 1/2B (Homo sapiens (Human))	BDBM50143890 (2-(4-Benzyl-piperidin-1-ylmethyl)-3H-benzoimidazol...) Show SMILES Oc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1 Show InChI InChI=1S/C20H23N3O/c24-17-6-7-18-19(13-17)22-20(21-18)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16,24H,8-12,14H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hamamatsu University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-(E)-N1-(2-methoxybenzyl)cinnamamidine from human NR1a/NR2b receptor expressed in mouse Ltk cells				Bioorg Med Chem 18: 7497-506 (2010) Article DOI: 10.1016/j.bmc.2010.08.053 BindingDB Entry DOI: 10.7270/Q2MS3T06
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50143890 (2-(4-Benzyl-piperidin-1-ylmethyl)-3H-benzoimidazol...) Show SMILES Oc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1 Show InChI InChI=1S/C20H23N3O/c24-17-6-7-18-19(13-17)22-20(21-18)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16,24H,8-12,14H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hamamatsu University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from NR2B receptor in rat cortical synaptic membranes				Bioorg Med Chem 18: 7497-506 (2010) Article DOI: 10.1016/j.bmc.2010.08.053 BindingDB Entry DOI: 10.7270/Q2MS3T06
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50329501 (CHEMBL1270332 | N-{2-[4-(4-Iodobenzyl)-piperidin-1...) Show SMILES CS(=O)(=O)Nc1ccc2nc(CN3CCC(Cc4ccc(I)cc4)CC3)[nH]c2c1 Show InChI InChI=1S/C21H25IN4O2S/c1-29(27,28)25-18-6-7-19-20(13-18)24-21(23-19)14-26-10-8-16(9-11-26)12-15-2-4-17(22)5-3-15/h2-7,13,16,25H,8-12,14H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hamamatsu University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from NR2B receptor in rat cortical synaptic membranes				Bioorg Med Chem 18: 7497-506 (2010) Article DOI: 10.1016/j.bmc.2010.08.053 BindingDB Entry DOI: 10.7270/Q2MS3T06
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50329502 (2-{[4-(4-Iodobenzyl)piperidin-1-yl]methyl}benzimid...) Show SMILES Oc1ccc2nc(CN3CCC(Cc4ccc(I)cc4)CC3)[nH]c2c1 Show InChI InChI=1S/C20H22IN3O/c21-16-3-1-14(2-4-16)11-15-7-9-24(10-8-15)13-20-22-18-6-5-17(25)12-19(18)23-20/h1-6,12,15,25H,7-11,13H2,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hamamatsu University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from NR2B receptor in rat cortical synaptic membranes				Bioorg Med Chem 18: 7497-506 (2010) Article DOI: 10.1016/j.bmc.2010.08.053 BindingDB Entry DOI: 10.7270/Q2MS3T06
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50007674 ((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...) Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hamamatsu University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from NR2B receptor in rat cortical synaptic membranes				Bioorg Med Chem 18: 7497-506 (2010) Article DOI: 10.1016/j.bmc.2010.08.053 BindingDB Entry DOI: 10.7270/Q2MS3T06
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50329503 (2-{[4-(4-Iodophenoxy)piperidin-1-yl]methyl}benzimi...) Show SMILES Oc1ccc2nc(CN3CCC(CC3)Oc3ccc(I)cc3)[nH]c2c1 Show InChI InChI=1S/C19H20IN3O2/c20-13-1-4-15(5-2-13)25-16-7-9-23(10-8-16)12-19-21-17-6-3-14(24)11-18(17)22-19/h1-6,11,16,24H,7-10,12H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	32.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hamamatsu University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from NR2B receptor in rat cortical synaptic membranes				Bioorg Med Chem 18: 7497-506 (2010) Article DOI: 10.1016/j.bmc.2010.08.053 BindingDB Entry DOI: 10.7270/Q2MS3T06
					More data for this Ligand-Target Pair