Compile Data Set for Download or QSAR

Found 830 hits with Last Name = 'volkmann' and Initial = 'ra'   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50081081 (6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...) Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1 Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Groton Curated by ChEMBL					Assay Description Binding affinity of compound to human 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 9: 2569-72 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XRP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50081081 (6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...) Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1 Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Groton Curated by ChEMBL					Assay Description Binding ability of compound to human Dopamine receptor D2				Bioorg Med Chem Lett 9: 2569-72 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XRP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50081081 (6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...) Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1 Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Groton Curated by ChEMBL					Assay Description Binding affinity of compound to human 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 9: 2569-72 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XRP
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50081082 (2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...) Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C25H28N4O/c26-25-8-4-7-23(27-25)21-11-9-20(10-12-21)13-14-28-15-17-29(18-16-28)19-24(30)22-5-2-1-3-6-22/h1-12H,13-19H2,(H2,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Groton Curated by ChEMBL					Assay Description Binding affinity of compound to m2 muscarinic receptor				Bioorg Med Chem Lett 9: 2569-72 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50281005 (CHEMBL76445 | [(5R,6S)-7-Oxo-6-((R)-1-phenylacetox...) Show SMILES C[C@@H](OC(=O)Cc1ccccc1)[C@@H]1[C@H]2S\C(SN2C1=O)=C/C(=O)OC(C)(C)C Show InChI InChI=1S/C20H23NO5S2/c1-12(25-14(22)10-13-8-6-5-7-9-13)17-18(24)21-19(17)27-16(28-21)11-15(23)26-20(2,3)4/h5-9,11-12,17,19H,10H2,1-4H3/b16-11+/t12-,17+,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) was determined				Bioorg Med Chem Lett 3: 2271-2276 (1993) Article DOI: 10.1016/S0960-894X(01)80938-0 BindingDB Entry DOI: 10.7270/Q21N812T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50081082 (2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...) Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C25H28N4O/c26-25-8-4-7-23(27-25)21-11-9-20(10-12-21)13-14-28-15-17-29(18-16-28)19-24(30)22-5-2-1-3-6-22/h1-12H,13-19H2,(H2,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Groton Curated by ChEMBL					Assay Description Binding ability of compound to m4 muscarinic receptor				Bioorg Med Chem Lett 9: 2569-72 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50281006 (CHEMBL72889 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-o...) Show SMILES C[C@@H](O)[C@@H]1[C@H]2S\C(SN2C1=O)=C/C(=O)OC(C)(C)C Show InChI InChI=1S/C12H17NO4S2/c1-6(14)9-10(16)13-11(9)18-8(19-13)5-7(15)17-12(2,3)4/h5-6,9,11,14H,1-4H3/b8-5+/t6-,9+,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.50E+3	n/a	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a
TBA Curated by ChEMBL					Assay Description Rate constant for the compound was determined (k2/ki) against human leukocyte elastase (HLE)				Bioorg Med Chem Lett 3: 2271-2276 (1993) Article DOI: 10.1016/S0960-894X(01)80938-0 BindingDB Entry DOI: 10.7270/Q21N812T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50281004 (CHEMBL419820 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-...) Show SMILES C[C@@H](O)[C@@H]1[C@H]2C\C(SN2C1=O)=C/C(=O)OC(C)(C)C Show InChI InChI=1S/C13H19NO4S/c1-7(15)11-9-5-8(19-14(9)12(11)17)6-10(16)18-13(2,3)4/h6-7,9,11,15H,5H2,1-4H3/b8-6+/t7-,9-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	3.20E+3	n/a	n/a	n/a	n/a	n/a	130	n/a	n/a
TBA Curated by ChEMBL					Assay Description Rate constant for the compound was determined (k2/ki) against human leukocyte elastase (HLE)				Bioorg Med Chem Lett 3: 2271-2276 (1993) Article DOI: 10.1016/S0960-894X(01)80938-0 BindingDB Entry DOI: 10.7270/Q21N812T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50281003 (CHEMBL306859 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-...) Show SMILES C[C@@H](O)[C@@H]1[C@H]2S\C(CN2C1=O)=C/C(=O)OC(C)(C)C Show InChI InChI=1S/C13H19NO4S/c1-7(15)10-11(17)14-6-8(19-12(10)14)5-9(16)18-13(2,3)4/h5,7,10,12,15H,6H2,1-4H3/b8-5-/t7-,10+,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	4.00E+3	n/a	n/a	n/a	n/a	n/a	170	n/a	n/a
TBA Curated by ChEMBL					Assay Description Rate constant for the compound was determined (k2/ki) against human leukocyte elastase (HLE)				Bioorg Med Chem Lett 3: 2271-2276 (1993) Article DOI: 10.1016/S0960-894X(01)80938-0 BindingDB Entry DOI: 10.7270/Q21N812T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50281009 (CHEMBL74813 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-o...) Show SMILES C[C@@H](O)[C@@H]1[C@H]2S\C(SN2C1=O)=C\C(=O)OC(C)(C)C Show InChI InChI=1S/C12H17NO4S2/c1-6(14)9-10(16)13-11(9)18-8(19-13)5-7(15)17-12(2,3)4/h5-6,9,11,14H,1-4H3/b8-5-/t6-,9+,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) was determined				Bioorg Med Chem Lett 3: 2271-2276 (1993) Article DOI: 10.1016/S0960-894X(01)80938-0 BindingDB Entry DOI: 10.7270/Q21N812T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50281007 (CHEMBL75220 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-o...) Show SMILES C[C@@H](O)[C@@H]1[C@H]2C\C(CN2C1=O)=C/C(=O)OC(C)(C)C Show InChI InChI=1S/C14H21NO4/c1-8(16)12-10-5-9(7-15(10)13(12)18)6-11(17)19-14(2,3)4/h6,8,10,12,16H,5,7H2,1-4H3/b9-6+/t8-,10-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Rate constant for the compound was determined (k2/ki) against human leukocyte elastase (HLE)				Bioorg Med Chem Lett 3: 2271-2276 (1993) Article DOI: 10.1016/S0960-894X(01)80938-0 BindingDB Entry DOI: 10.7270/Q21N812T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50281008 (CHEMBL311390 | [(5S,6R)-6-((R)-1-Hydroxy-ethyl)-7-...) Show SMILES C[C@@H](O)[C@H]1[C@@H]2S\C(SN2C1=O)=C/C(=O)OC(C)(C)C Show InChI InChI=1S/C12H17NO4S2/c1-6(14)9-10(16)13-11(9)18-8(19-13)5-7(15)17-12(2,3)4/h5-6,9,11,14H,1-4H3/b8-5+/t6-,9-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Rate constant for the compound was determined (k2/ki) against human leukocyte elastase (HLE)				Bioorg Med Chem Lett 3: 2271-2276 (1993) Article DOI: 10.1016/S0960-894X(01)80938-0 BindingDB Entry DOI: 10.7270/Q21N812T
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370772 (US10239835, Example 00324) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(O)c1ccc(O)cn1)C2)Oc1ccc(F)cc1 |r,w:10.11| Show InChI InChI=1S/C20H23FN2O3/c21-15-1-4-17(5-2-15)26-18-7-13-10-23(11-14(13)8-18)12-20(25)19-6-3-16(24)9-22-19/h1-6,9,13-14,18,20,24-25H,7-8,10-12H2/t13-,14+,18+,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.41	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370754 (US10239835, Example 00306) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(O)c1ccc(O)cc1)C2)Oc1ccccc1F |r,w:10.11| Show InChI InChI=1S/C21H24FNO3/c22-19-3-1-2-4-21(19)26-18-9-15-11-23(12-16(15)10-18)13-20(25)14-5-7-17(24)8-6-14/h1-8,15-16,18,20,24-25H,9-13H2/t15-,16+,18+,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.44	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370814 (US10239835, Example 00365) Show SMILES [H][C@@]1(C[C@]2([H])CN(C[C@@H](O)c3ccc(O)cn3)C[C@]2([H])C1)Oc1ccccc1 |r| Show InChI InChI=1S/C20H24N2O3/c23-16-6-7-19(21-10-16)20(24)13-22-11-14-8-18(9-15(14)12-22)25-17-4-2-1-3-5-17/h1-7,10,14-15,18,20,23-24H,8-9,11-13H2/t14-,15+,18+,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.24	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370813 (US10239835, Example 00364) Show SMILES [H][C@@]1(C[C@]2([H])CN(C[C@H](O)c3ccc(O)cn3)C[C@]2([H])C1)Oc1ccccc1 |r| Show InChI InChI=1S/C20H24N2O3/c23-16-6-7-19(21-10-16)20(24)13-22-11-14-8-18(9-15(14)12-22)25-17-4-2-1-3-5-17/h1-7,10,14-15,18,20,23-24H,8-9,11-13H2/t14-,15+,18+,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.25	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370756 (US10239835, Example 00308) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(O)c1ccc(O)cn1)C2)Oc1ccccc1 |r,w:10.11| Show InChI InChI=1S/C20H24N2O3/c23-16-6-7-19(21-10-16)20(24)13-22-11-14-8-18(9-15(14)12-22)25-17-4-2-1-3-5-17/h1-7,10,14-15,18,20,23-24H,8-9,11-13H2/t14-,15+,18+,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.72	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370745 (US10239835, Example 00297) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(O)c1ccc(O)cc1)C2)Oc1ccccc1 |r,w:10.11| Show InChI InChI=1S/C21H25NO3/c23-18-8-6-15(7-9-18)21(24)14-22-12-16-10-20(11-17(16)13-22)25-19-4-2-1-3-5-19/h1-9,16-17,20-21,23-24H,10-14H2/t16-,17+,20+,21?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.96	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370743 (US10239835, Example 00295) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(O)c1ccc(O)cn1)C2)Oc1ccccc1F |r,w:10.11| Show InChI InChI=1S/C20H23FN2O3/c21-17-3-1-2-4-20(17)26-16-7-13-10-23(11-14(13)8-16)12-19(25)18-6-5-15(24)9-22-18/h1-6,9,13-14,16,19,24-25H,7-8,10-12H2/t13-,14+,16+,19?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370781 (US10239835, Example 00333) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(O)c1ccc(O)cn1)C2)Oc1ccc(F)cc1F |r,w:10.11| Show InChI InChI=1S/C20H22F2N2O3/c21-14-1-4-20(17(22)7-14)27-16-5-12-9-24(10-13(12)6-16)11-19(26)18-3-2-15(25)8-23-18/h1-4,7-8,12-13,16,19,25-26H,5-6,9-11H2/t12-,13+,16+,19?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.81	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370815 (US10239835, Example 00366) Show SMILES [H][C@@]1(C[C@]2([H])CN(C[C@H](O)c3ccc(O)cn3)C[C@]2([H])C1)Oc1ccccc1F |r| Show InChI InChI=1S/C20H23FN2O3/c21-17-3-1-2-4-20(17)26-16-7-13-10-23(11-14(13)8-16)12-19(25)18-6-5-15(24)9-22-18/h1-6,9,13-14,16,19,24-25H,7-8,10-12H2/t13-,14+,16+,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370816 (US10239835, Example 00367) Show SMILES [H][C@@]1(C[C@]2([H])CN(C[C@@H](O)c3ccc(O)cn3)C[C@]2([H])C1)Oc1ccccc1F |r| Show InChI InChI=1S/C20H23FN2O3/c21-17-3-1-2-4-20(17)26-16-7-13-10-23(11-14(13)8-16)12-19(25)18-6-5-15(24)9-22-18/h1-6,9,13-14,16,19,24-25H,7-8,10-12H2/t13-,14+,16+,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370769 (US10239835, Example 00321) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(O)c1ccc(O)cc1)C2)Oc1ccc(F)cc1F |r,w:10.11| Show InChI InChI=1S/C21H23F2NO3/c22-16-3-6-21(19(23)9-16)27-18-7-14-10-24(11-15(14)8-18)12-20(26)13-1-4-17(25)5-2-13/h1-6,9,14-15,18,20,25-26H,7-8,10-12H2/t14-,15+,18+,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.62	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370797 (US10239835, Example 00349) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(O)c1ccc(O)cn1)C2)Oc1cccc(F)c1F |r,w:10.11| Show InChI InChI=1S/C20H22F2N2O3/c21-16-2-1-3-19(20(16)22)27-15-6-12-9-24(10-13(12)7-15)11-18(26)17-5-4-14(25)8-23-17/h1-5,8,12-13,15,18,25-26H,6-7,9-11H2/t12-,13+,15+,18?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.78	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370802 (US10239835, Example 00354) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(O)c1ccc(O)cc1)C2)Sc1ccccc1 |r,w:10.11| Show InChI InChI=1S/C21H25NO2S/c23-18-8-6-15(7-9-18)21(24)14-22-12-16-10-20(11-17(16)13-22)25-19-4-2-1-3-5-19/h1-9,16-17,20-21,23-24H,10-14H2/t16-,17+,20+,21?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.36	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370768 (US10239835, Example 00320) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(O)c1ccc(O)cn1)C2)Oc1c(F)cccc1F |r,w:10.11| Show InChI InChI=1S/C20H22F2N2O3/c21-16-2-1-3-17(22)20(16)27-15-6-12-9-24(10-13(12)7-15)11-19(26)18-5-4-14(25)8-23-18/h1-5,8,12-13,15,19,25-26H,6-7,9-11H2/t12-,13+,15+,19?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50091800 (2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...) Show SMILES Cc1ccnc(N)c1 Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human inducible nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370744 (US10239835, Example 00296) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(=O)c1ccc(O)cc1)C2)Oc1ccccc1 |r| Show InChI InChI=1S/C21H23NO3/c23-18-8-6-15(7-9-18)21(24)14-22-12-16-10-20(11-17(16)13-22)25-19-4-2-1-3-5-19/h1-9,16-17,20,23H,10-14H2/t16-,17+,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.7	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM237552 (US10052306, 223 | rac-(3aR,5r,6aS)-5-(4- chloroben...) Show SMILES OC(CN1C[C@H]2C[C@](O)(Cc3ccc(Cl)cc3)C[C@H]2C1)c1ccc(O)cn1 |r,w:1.0| Show InChI InChI=1S/C21H25ClN2O3/c22-17-3-1-14(2-4-17)7-21(27)8-15-11-24(12-16(15)9-21)13-20(26)19-6-5-18(25)10-23-19/h1-6,10,15-16,20,25-27H,7-9,11-13H2/t15-,16+,20?,21-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
CADENT THERAPEUTICS, INC. US Patent					Assay Description To each well of the plate, 10 μL test compound, control (MK801) or HHnoCa buffer was added to a final concentration of 10 μM with a final c...				US Patent US10052306 (2018) BindingDB Entry DOI: 10.7270/Q20R9RD3
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM238867 (US10052306, 306 | rac-4-{2-[(3aR,5R,6aS)- 5-benzyl...) Show SMILES OC(CN1C[C@@H]2C[C@@H](Cc3ccccc3)C[C@@H]2C1)c1ccc(O)cc1 |r,w:1.0| Show InChI InChI=1S/C22H27NO2/c24-21-8-6-18(7-9-21)22(25)15-23-13-19-11-17(12-20(19)14-23)10-16-4-2-1-3-5-16/h1-9,17,19-20,22,24-25H,10-15H2/t17-,19+,20-,22?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.7	n/a	n/a	n/a	n/a	n/a	n/a
CADENT THERAPEUTICS, INC. US Patent					Assay Description To each well of the plate, 10 μL test compound, control (MK801) or HHnoCa buffer was added to a final concentration of 10 μM with a final c...				US Patent US10052306 (2018) BindingDB Entry DOI: 10.7270/Q20R9RD3
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM238862 (US10052306, 301 | rac-4-{2-[(3aR,5S,6aS)- 5-benzyl...) Show SMILES OC(CN1C[C@@H]2C[C@H](Cc3ccccc3)C[C@@H]2C1)c1ccc(O)c(F)c1 |r,w:1.0| Show InChI InChI=1S/C22H26FNO2/c23-20-11-17(6-7-21(20)25)22(26)14-24-12-18-9-16(10-19(18)13-24)8-15-4-2-1-3-5-15/h1-7,11,16,18-19,22,25-26H,8-10,12-14H2/t16-,18-,19+,22?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.2	n/a	n/a	n/a	n/a	n/a	n/a
CADENT THERAPEUTICS, INC. US Patent					Assay Description To each well of the plate, 10 μL test compound, control (MK801) or HHnoCa buffer was added to a final concentration of 10 μM with a final c...				US Patent US10052306 (2018) BindingDB Entry DOI: 10.7270/Q20R9RD3
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM237388 (US10052306, 204 | rac-(3aR,5r,6aS)-2-(2- hydroxy-2...) Show SMILES OC(CN1C[C@H]2C[C@](O)(Cc3cccs3)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0| Show InChI InChI=1S/C20H25NO3S/c22-17-5-3-14(4-6-17)19(23)13-21-11-15-8-20(24,9-16(15)12-21)10-18-2-1-7-25-18/h1-7,15-16,19,22-24H,8-13H2/t15-,16+,19?,20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	n/a
CADENT THERAPEUTICS, INC. US Patent					Assay Description To each well of the plate, 10 μL test compound, control (MK801) or HHnoCa buffer was added to a final concentration of 10 μM with a final c...				US Patent US10052306 (2018) BindingDB Entry DOI: 10.7270/Q20R9RD3
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370676 (US10239835, Example 00228) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(O)c1ccc(O)cc1)C2)Oc1ccc(F)cc1 |r,w:10.11| Show InChI InChI=1S/C21H24FNO3/c22-17-3-7-19(8-4-17)26-20-9-15-11-23(12-16(15)10-20)13-21(25)14-1-5-18(24)6-2-14/h1-8,15-16,20-21,24-25H,9-13H2/t15-,16+,20+,21?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM238861 (US10052306, 300 | rac-4-(2-((3aR,6aS)-5- benzylhex...) Show SMILES OC(CN1C[C@@H]2CC(Cc3ccccc3)C[C@@H]2C1)c1ccc(O)cc1 |r,w:1.0,7.7| Show InChI InChI=1S/C22H27NO2/c24-21-8-6-18(7-9-21)22(25)15-23-13-19-11-17(12-20(19)14-23)10-16-4-2-1-3-5-16/h1-9,17,19-20,22,24-25H,10-15H2/t17?,19-,20+,22?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.9	n/a	n/a	n/a	n/a	n/a	n/a
CADENT THERAPEUTICS, INC. US Patent					Assay Description To each well of the plate, 10 μL test compound, control (MK801) or HHnoCa buffer was added to a final concentration of 10 μM with a final c...				US Patent US10052306 (2018) BindingDB Entry DOI: 10.7270/Q20R9RD3
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370678 (US10239835, Example 00230) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(O)c1ccc(O)cc1)C2)Oc1ccc(F)c(F)c1 |r,w:10.11| Show InChI InChI=1S/C21H23F2NO3/c22-19-6-5-17(9-20(19)23)27-18-7-14-10-24(11-15(14)8-18)12-21(26)13-1-3-16(25)4-2-13/h1-6,9,14-15,18,21,25-26H,7-8,10-12H2/t14-,15+,18+,21?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370782 (US10239835, Example 00334) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(O)c1ccc(O)cn1)C2)Oc1ccc(C)cc1F |r,w:10.11| Show InChI InChI=1S/C21H25FN2O3/c1-13-2-5-21(18(22)6-13)27-17-7-14-10-24(11-15(14)8-17)12-20(26)19-4-3-16(25)9-23-19/h2-6,9,14-15,17,20,25-26H,7-8,10-12H2,1H3/t14-,15+,17+,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM237683 (US10052306, 229 | rac-(3aR,5r,6aS)-5-(2- fluoroben...) Show SMILES OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3F)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0| Show InChI InChI=1S/C22H26FNO3/c23-20-4-2-1-3-16(20)9-22(27)10-17-12-24(13-18(17)11-22)14-21(26)15-5-7-19(25)8-6-15/h1-8,17-18,21,25-27H,9-14H2/t17-,18+,21?,22-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.5	n/a	n/a	n/a	n/a	n/a	n/a
CADENT THERAPEUTICS, INC. US Patent					Assay Description To each well of the plate, 10 μL test compound, control (MK801) or HHnoCa buffer was added to a final concentration of 10 μM with a final c...				US Patent US10052306 (2018) BindingDB Entry DOI: 10.7270/Q20R9RD3
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2A (Homo sapiens (Human))	BDBM393276 (5-(3,4- difluorobenzenesulfon- amidomethyl)-6- met...) Show SMILES Cc1ncc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(F)c3)c(C)n2)s1 Show InChI InChI=1S/C18H17F2N5O3S2/c1-10-16(9-24-30(27,28)13-3-4-14(19)15(20)5-13)22-8-17(25-10)18(26)23-7-12-6-21-11(2)29-12/h3-6,8,24H,7,9H2,1-2H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	16.2	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2A (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 52: 1864-72 (2009) BindingDB Entry DOI: 10.7270/Q2KD217B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM238865 (US10052306, 304 | rac-4-{2-[(3aR,5S,6aS)- 5-benzyl...) Show SMILES OC(CN1C[C@@H]2C[C@H](Cc3ccccc3)C[C@@H]2C1)c1ccc(O)cc1 |r,w:1.0| Show InChI InChI=1S/C22H27NO2/c24-21-8-6-18(7-9-21)22(25)15-23-13-19-11-17(12-20(19)14-23)10-16-4-2-1-3-5-16/h1-9,17,19-20,22,24-25H,10-15H2/t17-,19-,20+,22?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.8	n/a	n/a	n/a	n/a	n/a	n/a
CADENT THERAPEUTICS, INC. US Patent					Assay Description To each well of the plate, 10 μL test compound, control (MK801) or HHnoCa buffer was added to a final concentration of 10 μM with a final c...				US Patent US10052306 (2018) BindingDB Entry DOI: 10.7270/Q20R9RD3
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370755 (US10239835, Example 00307) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(=O)c1ccc(O)cc1)C2)Oc1ccccc1F |r| Show InChI InChI=1S/C21H22FNO3/c22-19-3-1-2-4-21(19)26-18-9-15-11-23(12-16(15)10-18)13-20(25)14-5-7-17(24)8-6-14/h1-8,15-16,18,24H,9-13H2/t15-,16+,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.8	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM235335 (US10052306, 131 | US10052306, 281 | rac-(3aR,5r,6a...) Show SMILES OC(CN1C[C@H]2C[C@](O)(Cc3ccccc3)C[C@H]2C1)c1ccc(O)cc1 |r,w:1.0| Show InChI InChI=1S/C22H27NO3/c24-20-8-6-17(7-9-20)21(25)15-23-13-18-11-22(26,12-19(18)14-23)10-16-4-2-1-3-5-16/h1-9,18-19,21,24-26H,10-15H2/t18-,19+,21?,22-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.4	n/a	n/a	n/a	n/a	n/a	n/a
CADENT THERAPEUTICS, INC. US Patent					Assay Description To each well of the plate, 10 μL test compound, control (MK801) or HHnoCa buffer was added to a final concentration of 10 μM with a final c...				US Patent US10052306 (2018) BindingDB Entry DOI: 10.7270/Q20R9RD3
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM237322 (US10052306, 168 | rac-(3aR,5r,6aS)-5-(4- fluoroben...) Show SMILES OC(CN1C[C@H]2C[C@](O)(Cc3ccc(F)cc3)C[C@H]2C1)c1ccc(O)cn1 |r,w:1.0| Show InChI InChI=1S/C21H25FN2O3/c22-17-3-1-14(2-4-17)7-21(27)8-15-11-24(12-16(15)9-21)13-20(26)19-6-5-18(25)10-23-19/h1-6,10,15-16,20,25-27H,7-9,11-13H2/t15-,16+,20?,21-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.8	n/a	n/a	n/a	n/a	n/a	n/a
CADENT THERAPEUTICS, INC. US Patent					Assay Description To each well of the plate, 10 μL test compound, control (MK801) or HHnoCa buffer was added to a final concentration of 10 μM with a final c...				US Patent US10052306 (2018) BindingDB Entry DOI: 10.7270/Q20R9RD3
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370681 (US10239835, Example 00233) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(O)c1ccc(O)cn1)C2)Oc1ccc(F)c(F)c1 |r,w:10.11| Show InChI InChI=1S/C20H22F2N2O3/c21-17-3-2-15(7-18(17)22)27-16-5-12-9-24(10-13(12)6-16)11-20(26)19-4-1-14(25)8-23-19/h1-4,7-8,12-13,16,20,25-26H,5-6,9-11H2/t12-,13+,16+,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.8	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370727 (US10239835, Example 00279) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(CC(O)c1ccc(O)cc1)C2)Oc1ccc(F)cc1 |r,w:10.11| Show InChI InChI=1S/C21H24FNO3/c22-17-3-7-19(8-4-17)26-20-9-15-11-23(12-16(15)10-20)13-21(25)14-1-5-18(24)6-2-14/h1-8,15-16,20-21,24-25H,9-13H2/t15-,16+,20-,21?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.8	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370694 (US10239835, Example 00246) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(O)c1ccc(O)cn1)C2)Oc1ccc(cc1)C#N |r,w:10.11| Show InChI InChI=1S/C21H23N3O3/c22-9-14-1-4-18(5-2-14)27-19-7-15-11-24(12-16(15)8-19)13-21(26)20-6-3-17(25)10-23-20/h1-6,10,15-16,19,21,25-26H,7-8,11-13H2/t15-,16+,19+,21?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370809 (US10239835, Example 00361) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC(O)c1ccc(O)cc1)C2)Sc1ccc(F)cc1 |r,w:10.11| Show InChI InChI=1S/C21H24FNO2S/c22-17-3-7-19(8-4-17)26-20-9-15-11-23(12-16(15)10-20)13-21(25)14-1-5-18(24)6-2-14/h1-8,15-16,20-21,24-25H,9-13H2/t15-,16+,20+,21?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM237551 (US10052306, 222 | rac-2-(2-(3-fluoro-4- hydroxyphe...) Show SMILES OC(CN1C[C@H]2C[C@](O)(Cc3cccs3)C[C@H]2C1)c1ccc(O)c(F)c1 |r,w:1.0| Show InChI InChI=1S/C20H24FNO3S/c21-17-6-13(3-4-18(17)23)19(24)12-22-10-14-7-20(25,8-15(14)11-22)9-16-2-1-5-26-16/h1-6,14-15,19,23-25H,7-12H2/t14-,15+,19?,20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.3	n/a	n/a	n/a	n/a	n/a	n/a
CADENT THERAPEUTICS, INC. US Patent					Assay Description To each well of the plate, 10 μL test compound, control (MK801) or HHnoCa buffer was added to a final concentration of 10 μM with a final c...				US Patent US10052306 (2018) BindingDB Entry DOI: 10.7270/Q20R9RD3
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2A (Homo sapiens (Human))	BDBM393246 (5-(3-chloro-4- fluorobenzenesulfon- amidomethyl)-6...) Show SMILES Cc1ncc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)c(C)n2)s1 Show InChI InChI=1S/C18H17ClFN5O3S2/c1-10-16(9-24-30(27,28)13-3-4-15(20)14(19)5-13)22-8-17(25-10)18(26)23-7-12-6-21-11(2)29-12/h3-6,8,24H,7,9H2,1-2H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2A (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 52: 1864-72 (2009) BindingDB Entry DOI: 10.7270/Q2KD217B
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM370817 (US10239835, Example 00368) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(C[C@H](O)c1ccc(O)cn1)C2)Oc1cccnc1F |r| Show InChI InChI=1S/C19H22FN3O3/c20-19-18(2-1-5-21-19)26-15-6-12-9-23(10-13(12)7-15)11-17(25)16-4-3-14(24)8-22-16/h1-5,8,12-13,15,17,24-25H,6-7,9-11H2/t12-,13+,15+,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in st...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q2F19207
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM238863 (US10052306, 302 | rac-4-{2-[(3aR,5R,6aS)- 5-benzyl...) Show SMILES OC(CN1C[C@@H]2C[C@@H](Cc3ccccc3)C[C@@H]2C1)c1ccc(O)c(F)c1 |r,w:1.0| Show InChI InChI=1S/C22H26FNO2/c23-20-11-17(6-7-21(20)25)22(26)14-24-12-18-9-16(10-19(18)13-24)8-15-4-2-1-3-5-15/h1-7,11,16,18-19,22,25-26H,8-10,12-14H2/t16-,18+,19-,22?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.1	n/a	n/a	n/a	n/a	n/a	n/a
CADENT THERAPEUTICS, INC. US Patent					Assay Description To each well of the plate, 10 μL test compound, control (MK801) or HHnoCa buffer was added to a final concentration of 10 μM with a final c...				US Patent US10052306 (2018) BindingDB Entry DOI: 10.7270/Q20R9RD3
					More data for this Ligand-Target Pair

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