Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with all data for entry = 50019262   

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))	BDBM50203311 (4-methylbenzyl 4-[(2-pyrimidinylamino)methyl]-1-pi...) Show SMILES Cc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1 Show InChI InChI=1S/C19H24N4O2/c1-15-3-5-17(6-4-15)14-25-19(24)23-11-7-16(8-12-23)13-22-18-20-9-2-10-21-18/h2-6,9-10,16H,7-8,11-14H2,1H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203310 (4-ethylbenzyl 4-[(2-pyrimidinylamino)methyl]-1-pip...) Show SMILES CCc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1 Show InChI InChI=1S/C20H26N4O2/c1-2-16-4-6-18(7-5-16)15-26-20(25)24-12-8-17(9-13-24)14-23-19-21-10-3-11-22-19/h3-7,10-11,17H,2,8-9,12-15H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203315 (4-isopropylbenzyl 4-[(2-pyrimidinylamino)methyl]-1...) Show SMILES CC(C)c1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1 Show InChI InChI=1S/C21H28N4O2/c1-16(2)19-6-4-18(5-7-19)15-27-21(26)25-12-8-17(9-13-25)14-24-20-22-10-3-11-23-20/h3-7,10-11,16-17H,8-9,12-15H2,1-2H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203305 (CHEMBL219060 | benzyl 4-[(pyridin-4-ylamino)methyl...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2ccncc2)CC1 Show InChI InChI=1S/C19H23N3O2/c23-19(24-15-17-4-2-1-3-5-17)22-12-8-16(9-13-22)14-21-18-6-10-20-11-7-18/h1-7,10-11,16H,8-9,12-15H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	10.6	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203300 (CHEMBL220660 | benzyl 4-[(pyrazin-2-ylamino)methyl...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2cnccn2)CC1 Show InChI InChI=1S/C18H22N4O2/c23-18(24-14-16-4-2-1-3-5-16)22-10-6-15(7-11-22)12-21-17-13-19-8-9-20-17/h1-5,8-9,13,15H,6-7,10-12,14H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	14	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203323 (4-fluorobenzyl 4-[(2-pyrimidinylamino)methyl]-1-pi...) Show SMILES Fc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1 Show InChI InChI=1S/C18H21FN4O2/c19-16-4-2-15(3-5-16)13-25-18(24)23-10-6-14(7-11-23)12-22-17-20-8-1-9-21-17/h1-5,8-9,14H,6-7,10-13H2,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203308 (2-fluorobenzyl 4-[(2-pyrimidinylamino)methyl]-1-pi...) Show SMILES Fc1ccccc1COC(=O)N1CCC(CNc2ncccn2)CC1 Show InChI InChI=1S/C18H21FN4O2/c19-16-5-2-1-4-15(16)13-25-18(24)23-10-6-14(7-11-23)12-22-17-20-8-3-9-21-17/h1-5,8-9,14H,6-7,10-13H2,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203301 (CHEMBL435316 | benzyl 4-[(2-pyrimidinylamino)methy...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2ncccn2)CC1 Show InChI InChI=1S/C18H22N4O2/c23-18(24-14-16-5-2-1-3-6-16)22-11-7-15(8-12-22)13-21-17-19-9-4-10-20-17/h1-6,9-10,15H,7-8,11-14H2,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203325 (2,3-dihydro-1H-inden-2-yl 4-[(pyrimidin-2-ylamino)...) Show SMILES O=C(OC1Cc2ccccc2C1)N1CCC(CNc2ncccn2)CC1 Show InChI InChI=1S/C20H24N4O2/c25-20(26-18-12-16-4-1-2-5-17(16)13-18)24-10-6-15(7-11-24)14-23-19-21-8-3-9-22-19/h1-5,8-9,15,18H,6-7,10-14H2,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203313 (CHEMBL218017 | benzyl 4-[(pyridin-2-ylamino)methyl...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2ccccn2)CC1 Show InChI InChI=1S/C19H23N3O2/c23-19(24-15-17-6-2-1-3-7-17)22-12-9-16(10-13-22)14-21-18-8-4-5-11-20-18/h1-8,11,16H,9-10,12-15H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	37	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203302 (CHEMBL218068 | benzyl 4-[(pyrimidin-4-ylamino)meth...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2ccncn2)CC1 Show InChI InChI=1S/C18H22N4O2/c23-18(24-13-16-4-2-1-3-5-16)22-10-7-15(8-11-22)12-20-17-6-9-19-14-21-17/h1-6,9,14-15H,7-8,10-13H2,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	75	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50070788 (CHEMBL48029 | N-(4-(benzyloxy)phenethyl)pyridin-4-...) Show SMILES C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccncc1 Show InChI InChI=1S/C20H20N2O/c1-2-4-18(5-3-1)16-23-20-8-6-17(7-9-20)10-15-22-19-11-13-21-14-12-19/h1-9,11-14H,10,15-16H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	93	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203304 (CHEMBL218547 | benzyl 4-[(1,3-thiazol-2-ylamino)me...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2nccs2)CC1 Show InChI InChI=1S/C17H21N3O2S/c21-17(22-13-15-4-2-1-3-5-15)20-9-6-14(7-10-20)12-19-16-18-8-11-23-16/h1-5,8,11,14H,6-7,9-10,12-13H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	122	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203312 (3-fluorobenzyl 4-[(2-pyrimidinylamino)methyl]-1-pi...) Show SMILES Fc1cccc(COC(=O)N2CCC(CNc3ncccn3)CC2)c1 Show InChI InChI=1S/C18H21FN4O2/c19-16-4-1-3-15(11-16)13-25-18(24)23-9-5-14(6-10-23)12-22-17-20-7-2-8-21-17/h1-4,7-8,11,14H,5-6,9-10,12-13H2,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203303 (CHEMBL218067 | benzyl 4-[(pyridin-3-ylamino)methyl...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2cccnc2)CC1 Show InChI InChI=1S/C19H23N3O2/c23-19(24-15-17-5-2-1-3-6-17)22-11-8-16(9-12-22)13-21-18-7-4-10-20-14-18/h1-7,10,14,16,21H,8-9,11-13,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	180	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203306 (CHEMBL219113 | benzyl 4-[(1,3,4-thiadiazol-2-ylami...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2nncs2)CC1 Show InChI InChI=1S/C16H20N4O2S/c21-16(22-11-14-4-2-1-3-5-14)20-8-6-13(7-9-20)10-17-15-19-18-12-23-15/h1-5,12-13H,6-11H2,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	190	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203320 (3-methylbenzyl 4-[(2-pyrimidinylamino)methyl]-1-pi...) Show SMILES Cc1cccc(COC(=O)N2CCC(CNc3ncccn3)CC2)c1 Show InChI InChI=1S/C19H24N4O2/c1-15-4-2-5-17(12-15)14-25-19(24)23-10-6-16(7-11-23)13-22-18-20-8-3-9-21-18/h2-5,8-9,12,16H,6-7,10-11,13-14H2,1H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	206	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203317 (CHEMBL218546 | benzyl 4-(1H-benzimidazol-2-ylmethy...) Show SMILES O=C(OCc1ccccc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C21H23N3O2/c25-21(26-15-17-6-2-1-3-7-17)24-12-10-16(11-13-24)14-20-22-18-8-4-5-9-19(18)23-20/h1-9,16H,10-15H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	220	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203321 (2-methylbenzyl 4-[(2-pyrimidinylamino)methyl]-1-pi...) Show SMILES Cc1ccccc1COC(=O)N1CCC(CNc2ncccn2)CC1 Show InChI InChI=1S/C19H24N4O2/c1-15-5-2-3-6-17(15)14-25-19(24)23-11-7-16(8-12-23)13-22-18-20-9-4-10-21-18/h2-6,9-10,16H,7-8,11-14H2,1H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	227	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203328 (CHEMBL219114 | phenethyl 4-[(2-pyrimidinylamino)me...) Show SMILES O=C(OCCc1ccccc1)N1CCC(CNc2ncccn2)CC1 Show InChI InChI=1S/C19H24N4O2/c24-19(25-14-9-16-5-2-1-3-6-16)23-12-7-17(8-13-23)15-22-18-20-10-4-11-21-18/h1-6,10-11,17H,7-9,12-15H2,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	227	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203314 (CHEMBL218075 | N-{[1-(3-phenylpropyl)piperidin-4-y...) Show SMILES C(CN1CCC(CNc2ncccn2)CC1)Cc1ccccc1 Show InChI InChI=1S/C19H26N4/c1-2-6-17(7-3-1)8-4-13-23-14-9-18(10-15-23)16-22-19-20-11-5-12-21-19/h1-3,5-7,11-12,18H,4,8-10,13-16H2,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	266	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203330 (CHEMBL217955 | N-{[1-(3-phenylpropanoyl)piperidin-...) Show SMILES O=C(CCc1ccccc1)N1CCC(CNc2ncccn2)CC1 Show InChI InChI=1S/C19H24N4O/c24-18(8-7-16-5-2-1-3-6-16)23-13-9-17(10-14-23)15-22-19-20-11-4-12-21-19/h1-6,11-12,17H,7-10,13-15H2,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	310	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203319 (4-methoxybenzyl 4-[(2-pyrimidinylamino)methyl]-1-p...) Show SMILES COc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1 Show InChI InChI=1S/C19H24N4O3/c1-25-17-5-3-16(4-6-17)14-26-19(24)23-11-7-15(8-12-23)13-22-18-20-9-2-10-21-18/h2-6,9-10,15H,7-8,11-14H2,1H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203326 (((+/-)-1-phenethyl 4-[(2-pyrimidinylamino)methyl]-...) Show SMILES CC(OC(=O)N1CCC(CNc2ncccn2)CC1)c1ccccc1 Show InChI InChI=1S/C19H24N4O2/c1-15(17-6-3-2-4-7-17)25-19(24)23-12-8-16(9-13-23)14-22-18-20-10-5-11-21-18/h2-7,10-11,15-16H,8-9,12-14H2,1H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	540	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203324 (4-tert-butylbenzyl 4-[(2-pyrimidinylamino)methyl]-...) Show SMILES CC(C)(C)c1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1 Show InChI InChI=1S/C22H30N4O2/c1-22(2,3)19-7-5-18(6-8-19)16-28-21(27)26-13-9-17(10-14-26)15-25-20-23-11-4-12-24-20/h4-8,11-12,17H,9-10,13-16H2,1-3H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	720	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203322 (CHEMBL218460 | N-benzyl-4-[(pyrimidin-2-ylamino)me...) Show SMILES O=C(NCc1ccccc1)N1CCC(CNc2ncccn2)CC1 Show InChI InChI=1S/C18H23N5O/c24-18(22-14-15-5-2-1-3-6-15)23-11-7-16(8-12-23)13-21-17-19-9-4-10-20-17/h1-6,9-10,16H,7-8,11-14H2,(H,22,24)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.17E+3	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203327 (4-cyanobenzyl 4-[(2-pyrimidinylamino)methyl]-1-pip...) Show SMILES O=C(OCc1ccc(cc1)C#C)N1CCC(CNc2ncccn2)CC1 Show InChI InChI=1S/C20H22N4O2/c1-2-16-4-6-18(7-5-16)15-26-20(25)24-12-8-17(9-13-24)14-23-19-21-10-3-11-22-19/h1,3-7,10-11,17H,8-9,12-15H2,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+3	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203318 (4-methylbenzyl 4-{[methyl(pyrimidin-2-yl)amino]met...) Show SMILES CN(CC1CCN(CC1)C(=O)OCc1ccc(C)cc1)c1ncccn1 Show InChI InChI=1S/C20H26N4O2/c1-16-4-6-18(7-5-16)15-26-20(25)24-12-8-17(9-13-24)14-23(2)19-21-10-3-11-22-19/h3-7,10-11,17H,8-9,12-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203329 (CHEMBL438994 | N-benzyl-N'-cyano-4-[(pyrimidin-2-y...) Show SMILES N#CN=C(NCc1ccccc1)NN1CCC(CNc2ncccn2)CC1 |w:2.1| Show InChI InChI=1S/C19H24N8/c20-15-25-19(24-13-16-5-2-1-3-6-16)26-27-11-7-17(8-12-27)14-23-18-21-9-4-10-22-18/h1-6,9-10,17H,7-8,11-14H2,(H,21,22,23)(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.10E+3	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203307 (4-methylbenzyl 4-[2-(pyrimidin-2-ylamino)ethyl]pip...) Show SMILES Cc1ccc(CC(=O)N2CCC(CCNc3ncccn3)CC2)cc1 Show InChI InChI=1S/C20H26N4O/c1-16-3-5-18(6-4-16)15-19(25)24-13-8-17(9-14-24)7-12-23-20-21-10-2-11-22-20/h2-6,10-11,17H,7-9,12-15H2,1H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.18E+3	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203316 (4-methylbenzyl 4-[(pyrimidin-2-yloxy)methyl]piperi...) Show SMILES Cc1ccc(COC(=O)N2CCC(COc3ncccn3)CC2)cc1 Show InChI InChI=1S/C19H23N3O3/c1-15-3-5-16(6-4-15)14-25-19(23)22-11-7-17(8-12-22)13-24-18-20-9-2-10-21-18/h2-6,9-10,17H,7-8,11-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.40E+3	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50203309 (4-methylbenzyl 4-(pyrimidin-2-ylamino)piperidine-1...) Show SMILES Cc1ccc(COC(=O)N2CCC(CC2)Nc2ncccn2)cc1 Show InChI InChI=1S/C18H22N4O2/c1-14-3-5-15(6-4-14)13-24-18(23)22-11-7-16(8-12-22)21-17-19-9-2-10-20-17/h2-6,9-10,16H,7-8,11-13H2,1H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.50E+4	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 [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50070788 (CHEMBL48029 | N-(4-(benzyloxy)phenethyl)pyridin-4-...) Show SMILES C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccncc1 Show InChI InChI=1S/C20H20N2O/c1-2-4-18(5-3-1)16-23-20-8-6-17(7-9-20)10-15-22-19-11-13-21-14-12-19/h1-9,11-14H,10,15-16H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human NR2B expressed in Ltk- cells by calcium flux assay				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50070788 (CHEMBL48029 | N-(4-(benzyloxy)phenethyl)pyridin-4-...) Show SMILES C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccncc1 Show InChI InChI=1S/C20H20N2O/c1-2-4-18(5-3-1)16-23-20-8-6-17(7-9-20)10-15-22-19-11-13-21-14-12-19/h1-9,11-14H,10,15-16H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from hERG potassium channel expressed in HEK293 cells				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50090677 (4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1 Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50203302 (CHEMBL218068 | benzyl 4-[(pyrimidin-4-ylamino)meth...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2ccncn2)CC1 Show InChI InChI=1S/C18H22N4O2/c23-18(24-13-16-4-2-1-3-5-16)22-10-7-15(8-11-22)12-20-17-6-9-19-14-21-17/h1-6,9,14-15H,7-8,10-13H2,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50203302 (CHEMBL218068 | benzyl 4-[(pyrimidin-4-ylamino)meth...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2ccncn2)CC1 Show InChI InChI=1S/C18H22N4O2/c23-18(24-13-16-4-2-1-3-5-16)22-10-7-15(8-11-22)12-20-17-6-9-19-14-21-17/h1-6,9,14-15H,7-8,10-13H2,(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50203300 (CHEMBL220660 | benzyl 4-[(pyrazin-2-ylamino)methyl...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2cnccn2)CC1 Show InChI InChI=1S/C18H22N4O2/c23-18(24-14-16-4-2-1-3-5-16)22-10-6-15(7-11-22)12-21-17-13-19-8-9-20-17/h1-5,8-9,13,15H,6-7,10-12,14H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50203303 (CHEMBL218067 | benzyl 4-[(pyridin-3-ylamino)methyl...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2cccnc2)CC1 Show InChI InChI=1S/C19H23N3O2/c23-19(24-15-17-5-2-1-3-6-17)22-11-8-16(9-12-22)13-21-18-7-4-10-20-14-18/h1-7,10,14,16,21H,8-9,11-13,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50203302 (CHEMBL218068 | benzyl 4-[(pyrimidin-4-ylamino)meth...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2ccncn2)CC1 Show InChI InChI=1S/C18H22N4O2/c23-18(24-13-16-4-2-1-3-5-16)22-10-7-15(8-11-22)12-20-17-6-9-19-14-21-17/h1-6,9,14-15H,7-8,10-13H2,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50203305 (CHEMBL219060 | benzyl 4-[(pyridin-4-ylamino)methyl...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2ccncc2)CC1 Show InChI InChI=1S/C19H23N3O2/c23-19(24-15-17-4-2-1-3-5-17)22-12-8-16(9-13-22)14-21-18-6-10-20-11-7-18/h1-7,10-11,16H,8-9,12-15H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50203303 (CHEMBL218067 | benzyl 4-[(pyridin-3-ylamino)methyl...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2cccnc2)CC1 Show InChI InChI=1S/C19H23N3O2/c23-19(24-15-17-5-2-1-3-6-17)22-11-8-16(9-12-22)13-21-18-7-4-10-20-14-18/h1-7,10,14,16,21H,8-9,11-13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50203304 (CHEMBL218547 | benzyl 4-[(1,3-thiazol-2-ylamino)me...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2nccs2)CC1 Show InChI InChI=1S/C17H21N3O2S/c21-17(22-13-15-4-2-1-3-5-15)20-9-6-14(7-10-20)12-19-16-18-8-11-23-16/h1-5,8,11,14H,6-7,9-10,12-13H2,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50203304 (CHEMBL218547 | benzyl 4-[(1,3-thiazol-2-ylamino)me...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2nccs2)CC1 Show InChI InChI=1S/C17H21N3O2S/c21-17(22-13-15-4-2-1-3-5-15)20-9-6-14(7-10-20)12-19-16-18-8-11-23-16/h1-5,8,11,14H,6-7,9-10,12-13H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50203304 (CHEMBL218547 | benzyl 4-[(1,3-thiazol-2-ylamino)me...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2nccs2)CC1 Show InChI InChI=1S/C17H21N3O2S/c21-17(22-13-15-4-2-1-3-5-15)20-9-6-14(7-10-20)12-19-16-18-8-11-23-16/h1-5,8,11,14H,6-7,9-10,12-13H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50203303 (CHEMBL218067 | benzyl 4-[(pyridin-3-ylamino)methyl...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2cccnc2)CC1 Show InChI InChI=1S/C19H23N3O2/c23-19(24-15-17-5-2-1-3-6-17)22-11-8-16(9-12-22)13-21-18-7-4-10-20-14-18/h1-7,10,14,16,21H,8-9,11-13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50203300 (CHEMBL220660 | benzyl 4-[(pyrazin-2-ylamino)methyl...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2cnccn2)CC1 Show InChI InChI=1S/C18H22N4O2/c23-18(24-14-16-4-2-1-3-5-16)22-10-6-15(7-11-22)12-21-17-13-19-8-9-20-17/h1-5,8-9,13,15H,6-7,10-12,14H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50203305 (CHEMBL219060 | benzyl 4-[(pyridin-4-ylamino)methyl...) Show SMILES O=C(OCc1ccccc1)N1CCC(CNc2ccncc2)CC1 Show InChI InChI=1S/C19H23N3O2/c23-19(24-15-17-4-2-1-3-5-17)22-12-8-16(9-13-22)14-21-18-6-10-20-11-7-18/h1-7,10-11,16H,8-9,12-15H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2A (Homo sapiens (Human))	BDBM50070788 (CHEMBL48029 | N-(4-(benzyloxy)phenethyl)pyridin-4-...) Show SMILES C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccncc1 Show InChI InChI=1S/C20H20N2O/c1-2-4-18(5-3-1)16-23-20-8-6-17(7-9-20)10-15-22-19-11-13-21-14-12-19/h1-9,11-14H,10,15-16H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at human NR2A expressed in Ltk- cells by calcium flux assay				J Med Chem 50: 807-19 (2007) Article DOI: 10.1021/jm060983w BindingDB Entry DOI: 10.7270/Q2FX7944
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 64 total )  |  Next  |  Last  >>

Jump to: