Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50012976   

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 (Homo sapiens (Human))	BDBM50124909 (CHEMBL159744 | N-(3,5-Dimethyl-benzyl)-4-trifluoro...) Show SMILES Cc1cc(C)cc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1 |w:8.7| Show InChI InChI=1S/C17H17F3N2O/c1-11-7-12(2)9-13(8-11)10-22-16(21)14-3-5-15(6-4-14)23-17(18,19)20/h3-9H,10H2,1-2H3,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells				Bioorg Med Chem Lett 13: 697-700 (2003) BindingDB Entry DOI: 10.7270/Q2FX78TP
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells				Bioorg Med Chem Lett 13: 697-700 (2003) BindingDB Entry DOI: 10.7270/Q2FX78TP
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50124918 (3,4-Dichloro-N-(2-trifluoromethoxy-benzyl)-benzami...) Show SMILES NC(=NCc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1 |w:2.2| Show InChI InChI=1S/C15H11Cl2F3N2O/c16-11-6-5-9(7-12(11)17)14(21)22-8-10-3-1-2-4-13(10)23-15(18,19)20/h1-7H,8H2,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells				Bioorg Med Chem Lett 13: 697-700 (2003) BindingDB Entry DOI: 10.7270/Q2FX78TP
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50124919 (3,4-Dichloro-N-(3-chloro-benzyl)-benzamidine | CHE...) Show SMILES NC(=NCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 |w:2.2| Show InChI InChI=1S/C14H11Cl3N2/c15-11-3-1-2-9(6-11)8-19-14(18)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H2,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells				Bioorg Med Chem Lett 13: 697-700 (2003) BindingDB Entry DOI: 10.7270/Q2FX78TP
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of the response to NMDA glutamate/glycine receptor NR2B subtype was determined using FLIPR assay				Bioorg Med Chem Lett 13: 697-700 (2003) BindingDB Entry DOI: 10.7270/Q2FX78TP
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50124926 (CHEMBL159530 | N-Benzyl-4-trifluoromethyl-benzamid...) Show SMILES NC(=NCc1ccccc1)c1ccc(cc1)C(F)(F)F |w:2.2| Show InChI InChI=1S/C15H13F3N2/c16-15(17,18)13-8-6-12(7-9-13)14(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells				Bioorg Med Chem Lett 13: 697-700 (2003) BindingDB Entry DOI: 10.7270/Q2FX78TP
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50124912 (CHEMBL159879 | N-(3-Chloro-benzyl)-4-fluoro-benzam...) Show SMILES NC(=NCc1cccc(Cl)c1)c1ccc(F)cc1 |w:2.2| Show InChI InChI=1S/C14H12ClFN2/c15-12-3-1-2-10(8-12)9-18-14(17)11-4-6-13(16)7-5-11/h1-8H,9H2,(H2,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of the response to NMDA glutamate/glycine receptor NR2B subtype was determined using FLIPR assay				Bioorg Med Chem Lett 13: 697-700 (2003) BindingDB Entry DOI: 10.7270/Q2FX78TP
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50124911 (3-Chloro-N-(3-chloro-benzyl)-benzamidine | CHEMBL1...) Show SMILES NC(=NCc1cccc(Cl)c1)c1cccc(Cl)c1 |w:2.2| Show InChI InChI=1S/C14H12Cl2N2/c15-12-5-1-3-10(7-12)9-18-14(17)11-4-2-6-13(16)8-11/h1-8H,9H2,(H2,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of the response to NMDA glutamate/glycine receptor NR2B subtype was determined using FLIPR assay				Bioorg Med Chem Lett 13: 697-700 (2003) BindingDB Entry DOI: 10.7270/Q2FX78TP
					More data for this Ligand-Target Pair