Compile Data Set for Download or QSAR

Found 388 hits with Last Name = 'shimada' and Initial = 's'   

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 (Mus musculus)	BDBM50269772 (CHEMBL4094573) Show SMILES O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccccc2)CC1 |r,wD:1.0,18.20,(12.23,-7.56,;13,-8.9,;11.46,-8.9,;10.69,-10.23,;11.46,-11.57,;9.15,-10.23,;8.38,-11.57,;9.16,-12.89,;8.4,-14.22,;6.85,-14.23,;5.82,-15.38,;4.41,-14.75,;3.08,-15.53,;4.56,-13.22,;6.07,-12.89,;6.85,-11.56,;14.33,-8.12,;15.66,-8.9,;15.66,-10.44,;17,-11.21,;18.33,-10.44,;19.66,-11.22,;20.99,-10.45,;21,-8.91,;19.65,-8.14,;18.33,-8.91,;14.33,-11.2,;13,-10.44,)| Show InChI InChI=1S/C22H24N2O4/c25-20(23-17-6-7-18-19(13-17)28-21(26)24-18)14-22(27)10-8-16(9-11-22)12-15-4-2-1-3-5-15/h1-7,13,16,27H,8-12,14H2,(H,23,25)(H,24,26)/t16-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracell...				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50269769 (CHEMBL4086848) Show SMILES O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(F)cc2)CC1 |r,wD:1.0,18.20,(13.05,-7.68,;13.82,-9.01,;12.28,-9.01,;11.51,-10.35,;12.28,-11.68,;9.97,-10.35,;9.2,-11.68,;9.98,-13.01,;9.21,-14.34,;7.67,-14.34,;6.64,-15.49,;5.22,-14.87,;3.89,-15.64,;5.38,-13.33,;6.89,-13.01,;7.67,-11.68,;15.15,-8.24,;16.48,-9.01,;16.48,-10.55,;17.81,-11.33,;19.15,-10.56,;20.48,-11.33,;21.81,-10.57,;21.81,-9.02,;23.15,-8.25,;20.47,-8.25,;19.14,-9.02,;15.15,-11.32,;13.82,-10.55,)| Show InChI InChI=1S/C22H23FN2O4/c23-16-3-1-14(2-4-16)11-15-7-9-22(28,10-8-15)13-20(26)24-17-5-6-18-19(12-17)29-21(27)25-18/h1-6,12,15,28H,7-11,13H2,(H,24,26)(H,25,27)/t15-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracell...				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50505124 (CHEMBL4534333) Show SMILES Fc1cc(ccc1C(F)(F)F)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C20H16F4N4O4/c21-14-10-12(2-3-13(14)20(22,23)24)27-5-7-28(8-6-27)18(30)17(29)25-11-1-4-15-16(9-11)32-19(31)26-15/h1-4,9-10H,5-8H2,(H,25,29)(H,26,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50269780 (CHEMBL4095807) Show SMILES COc1ccc(C[C@H]2CC[C@](O)(CC(=O)Nc3ccc4[nH]c(=O)oc4c3)CC2)cc1 |r,wD:10.10,7.6,(25.46,-11.71,;24.13,-10.94,;22.79,-11.71,;22.79,-13.25,;21.46,-14.02,;20.13,-13.24,;18.79,-14.01,;17.46,-13.24,;17.46,-11.7,;16.13,-10.92,;14.8,-11.7,;14.03,-10.36,;13.26,-11.7,;12.49,-13.03,;13.26,-14.37,;10.95,-13.03,;10.18,-14.37,;10.96,-15.69,;10.19,-17.02,;8.65,-17.03,;7.62,-18.18,;6.2,-17.55,;4.87,-18.33,;6.36,-16.02,;7.87,-15.69,;8.65,-14.36,;14.8,-13.24,;16.13,-14,;20.12,-11.71,;21.45,-10.94,)| Show InChI InChI=1S/C23H26N2O5/c1-29-18-5-2-15(3-6-18)12-16-8-10-23(28,11-9-16)14-21(26)24-17-4-7-19-20(13-17)30-22(27)25-19/h2-7,13,16,28H,8-12,14H2,1H3,(H,24,26)(H,25,27)/t16-,23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracell...				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50269752 (CHEMBL4078903) Show SMILES O[C@]1(Cc2cc(on2)-c2ccc(=O)[nH]c2)CC[C@H](Cc2ccc(Cl)cc2)CC1 |r,wD:1.0,17.19,(15.69,-7.67,;16.46,-9,;14.92,-9,;14.15,-10.33,;12.62,-10.49,;12.3,-12,;13.63,-12.77,;14.77,-11.74,;10.89,-12.62,;9.65,-11.72,;8.25,-12.34,;8.08,-13.87,;6.67,-14.5,;9.34,-14.78,;10.74,-14.15,;17.79,-8.22,;19.12,-9,;19.12,-10.54,;20.45,-11.31,;21.78,-10.54,;23.11,-11.32,;24.45,-10.55,;24.45,-9.01,;25.78,-8.24,;23.11,-8.24,;21.78,-9.01,;17.79,-11.3,;16.46,-10.54,)| Show InChI InChI=1S/C22H23ClN2O3/c23-18-4-1-15(2-5-18)11-16-7-9-22(27,10-8-16)13-19-12-20(28-25-19)17-3-6-21(26)24-14-17/h1-6,12,14,16,27H,7-11,13H2,(H,24,26)/t16-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracell...				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50505140 (CHEMBL4526884) Show SMILES Fc1cc(ccc1Cl)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C19H16ClFN4O4/c20-13-3-2-12(10-14(13)21)24-5-7-25(8-6-24)18(27)17(26)22-11-1-4-15-16(9-11)29-19(28)23-15/h1-4,9-10H,5-8H2,(H,22,26)(H,23,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50269783 (CHEMBL4059534) Show SMILES O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(F)c(F)c2)CC1 |r,wD:1.0,18.20,(14.03,-10.36,;14.8,-11.7,;13.26,-11.7,;12.49,-13.03,;13.26,-14.37,;10.95,-13.03,;10.18,-14.37,;10.96,-15.69,;10.19,-17.02,;8.65,-17.03,;7.62,-18.18,;6.2,-17.55,;4.87,-18.33,;6.36,-16.02,;7.87,-15.69,;8.65,-14.36,;16.13,-10.92,;17.46,-11.7,;17.46,-13.24,;18.79,-14.01,;20.13,-13.24,;21.46,-14.02,;22.79,-13.25,;22.79,-11.71,;24.13,-10.94,;21.45,-10.94,;21.45,-9.4,;20.12,-11.71,;16.13,-14,;14.8,-13.24,)| Show InChI InChI=1S/C22H22F2N2O4/c23-16-3-1-14(10-17(16)24)9-13-5-7-22(29,8-6-13)12-20(27)25-15-2-4-18-19(11-15)30-21(28)26-18/h1-4,10-11,13,29H,5-9,12H2,(H,25,27)(H,26,28)/t13-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracell...				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50505122 (CHEMBL4583880) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C20H18ClFN4O4/c1-11-10-25(13-3-4-14(21)15(22)9-13)6-7-26(11)19(28)18(27)23-12-2-5-16-17(8-12)30-20(29)24-16/h2-5,8-9,11H,6-7,10H2,1H3,(H,23,27)(H,24,29)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50505146 (CHEMBL4470637) Show SMILES C[C@@H]1CN(CCN1c1ccc(Cl)c(F)c1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 |r| Show InChI InChI=1S/C20H18ClFN4O4/c1-11-10-25(6-7-26(11)13-3-4-14(21)15(22)9-13)19(28)18(27)23-12-2-5-16-17(8-12)30-20(29)24-16/h2-5,8-9,11H,6-7,10H2,1H3,(H,23,27)(H,24,29)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50149684 (2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-oxo-N-(2-...) Show SMILES Fc1ccc(CC2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1 Show InChI InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50269782 (CHEMBL4091437) Show SMILES O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(OC(F)(F)F)cc2)CC1 |r,wD:1.0,18.20,(14.03,-10.36,;14.8,-11.7,;13.26,-11.7,;12.49,-13.03,;13.26,-14.37,;10.95,-13.03,;10.18,-14.37,;10.96,-15.69,;10.19,-17.02,;8.65,-17.03,;7.62,-18.18,;6.2,-17.55,;4.87,-18.33,;6.36,-16.02,;7.87,-15.69,;8.65,-14.36,;16.13,-10.92,;17.46,-11.7,;17.46,-13.24,;18.79,-14.01,;20.13,-13.24,;21.46,-14.02,;22.79,-13.25,;22.79,-11.71,;24.13,-10.94,;25.46,-11.71,;26.79,-10.94,;25.46,-13.25,;26.79,-12.48,;21.45,-10.94,;20.12,-11.71,;16.13,-14,;14.8,-13.24,)| Show InChI InChI=1S/C23H23F3N2O5/c24-23(25,26)33-17-4-1-14(2-5-17)11-15-7-9-22(31,10-8-15)13-20(29)27-16-3-6-18-19(12-16)32-21(30)28-18/h1-6,12,15,31H,7-11,13H2,(H,27,29)(H,28,30)/t15-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracell...				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50149684 (2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-oxo-N-(2-...) Show SMILES Fc1ccc(CC2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1 Show InChI InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracell...				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50269779 (CHEMBL4069300) Show SMILES O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(Cl)cc2)CC1 |r,wD:1.0,18.20,(14.03,-10.36,;14.8,-11.7,;13.26,-11.7,;12.49,-13.03,;13.26,-14.37,;10.95,-13.03,;10.18,-14.37,;10.96,-15.69,;10.19,-17.02,;8.65,-17.03,;7.62,-18.18,;6.2,-17.55,;4.87,-18.33,;6.36,-16.02,;7.87,-15.69,;8.65,-14.36,;16.13,-10.92,;17.46,-11.7,;17.46,-13.24,;18.79,-14.01,;20.13,-13.24,;21.46,-14.02,;22.79,-13.25,;22.79,-11.71,;24.13,-10.94,;21.45,-10.94,;20.12,-11.71,;16.13,-14,;14.8,-13.24,)| Show InChI InChI=1S/C22H23ClN2O4/c23-16-3-1-14(2-4-16)11-15-7-9-22(28,10-8-15)13-20(26)24-17-5-6-18-19(12-17)29-21(27)25-18/h1-6,12,15,28H,7-11,13H2,(H,24,26)(H,25,27)/t15-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracell...				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair
Coagulation factor IX (Rattus norvegicus)	BDBM50240469 (CHEMBL4096341) Show SMILES [H][C@@]12CC[C@]([H])([C@H]1NC(=O)c1ccc(cc1Cl)-n1cnc(C)n1)N(C2)c1ncc(Cl)c2cnoc12 |r,TLB:7:6:23.24:2.3,THB:25:23:6:2.3| Show InChI InChI=1S/C22H19Cl2N7O2/c1-11-26-10-31(29-11)13-3-4-14(16(23)6-13)22(32)28-19-12-2-5-18(19)30(9-12)21-20-15(7-27-33-20)17(24)8-25-21/h3-4,6-8,10,12,18-19H,2,5,9H2,1H3,(H,28,32)/t12-,18+,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Mochida Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of rat coagulation factor 9a				Bioorg Med Chem Lett 27: 2622-2628 (2017) Article DOI: 10.1016/j.bmcl.2017.03.002 BindingDB Entry DOI: 10.7270/Q28054RH
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50240469 (CHEMBL4096341) Show SMILES [H][C@@]12CC[C@]([H])([C@H]1NC(=O)c1ccc(cc1Cl)-n1cnc(C)n1)N(C2)c1ncc(Cl)c2cnoc12 |r,TLB:7:6:23.24:2.3,THB:25:23:6:2.3| Show InChI InChI=1S/C22H19Cl2N7O2/c1-11-26-10-31(29-11)13-3-4-14(16(23)6-13)22(32)28-19-12-2-5-18(19)30(9-12)21-20-15(7-27-33-20)17(24)8-25-21/h3-4,6-8,10,12,18-19H,2,5,9H2,1H3,(H,28,32)/t12-,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Mochida Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 27: 2622-2628 (2017) Article DOI: 10.1016/j.bmcl.2017.03.002 BindingDB Entry DOI: 10.7270/Q28054RH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50505121 (CHEMBL4454495) Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C20H17F3N4O4/c21-20(22,23)12-1-4-14(5-2-12)26-7-9-27(10-8-26)18(29)17(28)24-13-3-6-15-16(11-13)31-19(30)25-15/h1-6,11H,7-10H2,(H,24,28)(H,25,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50505125 (CHEMBL4464831) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H19ClN4O4/c1-12-11-24(15-5-2-13(21)3-6-15)8-9-25(12)19(27)18(26)22-14-4-7-16-17(10-14)29-20(28)23-16/h2-7,10,12H,8-9,11H2,1H3,(H,22,26)(H,23,28)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50269756 (CHEMBL4076727) Show SMILES O[C@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(Cl)cc2)CC1 |r,wD:1.0,15.17,(15.19,-7.36,;15.96,-8.7,;14.42,-8.7,;13.65,-10.03,;12.12,-10.19,;11.8,-11.69,;13.13,-12.46,;14.28,-11.43,;10.39,-12.32,;9.05,-11.55,;7.91,-12.58,;8.54,-13.99,;10.07,-13.83,;17.29,-7.92,;18.62,-8.7,;18.62,-10.24,;19.95,-11.01,;21.29,-10.24,;22.62,-11.01,;23.95,-10.25,;23.95,-8.7,;25.29,-7.93,;22.61,-7.93,;21.28,-8.7,;17.29,-11,;15.96,-10.24,)| Show InChI InChI=1S/C20H22ClN3O2/c21-17-3-1-14(2-4-17)9-15-5-7-20(25,8-6-15)11-18-10-19(26-24-18)16-12-22-23-13-16/h1-4,10,12-13,15,25H,5-9,11H2,(H,22,23)/t15-,20+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracell...				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50505145 (CHEMBL4474892) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C20H18F2N4O4/c1-11-10-25(13-3-4-14(21)15(22)9-13)6-7-26(11)19(28)18(27)23-12-2-5-16-17(8-12)30-20(29)24-16/h2-5,8-9,11H,6-7,10H2,1H3,(H,23,27)(H,24,29)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50269781 (CHEMBL4064453) Show SMILES O[C@]1(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(cc2)C(F)(F)F)CC1 |r,wD:1.0,18.20,(14.03,-10.36,;14.8,-11.7,;13.26,-11.7,;12.49,-13.03,;13.26,-14.37,;10.95,-13.03,;10.18,-14.37,;10.96,-15.69,;10.19,-17.02,;8.65,-17.03,;7.62,-18.18,;6.2,-17.55,;4.87,-18.33,;6.36,-16.02,;7.87,-15.69,;8.65,-14.36,;16.13,-10.92,;17.46,-11.7,;17.46,-13.24,;18.79,-14.01,;20.13,-13.24,;21.46,-14.02,;22.79,-13.25,;22.79,-11.71,;21.45,-10.94,;20.12,-11.71,;24.13,-10.94,;25.46,-11.71,;24.13,-9.4,;25.46,-10.16,;16.13,-14,;14.8,-13.24,)| Show InChI InChI=1S/C23H23F3N2O4/c24-23(25,26)16-3-1-14(2-4-16)11-15-7-9-22(31,10-8-15)13-20(29)27-17-5-6-18-19(12-17)32-21(30)28-18/h1-6,12,15,31H,7-11,13H2,(H,27,29)(H,28,30)/t15-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracell...				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50505126 (CHEMBL4442519) Show SMILES C[C@@H]1CN(CCN1c1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 |r| Show InChI InChI=1S/C20H19ClN4O4/c1-12-11-24(8-9-25(12)15-5-2-13(21)3-6-15)19(27)18(26)22-14-4-7-16-17(10-14)29-20(28)23-16/h2-7,10,12H,8-9,11H2,1H3,(H,22,26)(H,23,28)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50505147 (CHEMBL4451442) Show SMILES Clc1ccc(cc1)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C19H17ClN4O4/c20-12-1-4-14(5-2-12)23-7-9-24(10-8-23)18(26)17(25)21-13-3-6-15-16(11-13)28-19(27)22-15/h1-6,11H,7-10H2,(H,21,25)(H,22,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50532062 (CHEMBL4439812) Show SMILES [Na;v0+].[#6]-[#8]-c1ccccc1-[#6@H]-1-[#7](-[#6](=O)-[#6](-[#8-])=[#6]-1-[#6](=O)-[#6](-[#6])-[#6])-c1ccc(cc1)-c1ccsc1 |r,c:14| Show InChI InChI=1S/C25H23NO4S.Na/c1-15(2)23(27)21-22(19-6-4-5-7-20(19)30-3)26(25(29)24(21)28)18-10-8-16(9-11-18)17-12-13-31-14-17;/h4-15,22,28H,1-3H3;/q;+1/p-1/t22-;/m1./s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in rat C6BU-1 cells measured up to 3 mins by Fluo-3/AM dye-based fluorescence assay				Bioorg Med Chem Lett 29: 688-693 (2019) Article DOI: 10.1016/j.bmcl.2019.01.039 BindingDB Entry DOI: 10.7270/Q23F4T48
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274369 (CHEMBL4126267) Show SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1cc(C)no1 |c:11| Show InChI InChI=1S/C28H28N2O5/c1-17-16-23(35-29-17)18-8-12-21(13-9-18)30-25(19-6-4-3-5-7-19)24(27(32)28(30)33)26(31)20-10-14-22(34-2)15-11-20/h8-16,19,25,32H,3-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50274344 (CHEMBL4129184) Show SMILES CCOC(=O)c1ccc(cc1)N1C(C2CCCCC2)C(C(=O)c2ccc(OC)cc2)=C(O)C1=O |t:32| Show InChI InChI=1S/C27H29NO6/c1-3-34-27(32)19-9-13-20(14-10-19)28-23(17-7-5-4-6-8-17)22(25(30)26(28)31)24(29)18-11-15-21(33-2)16-12-18/h9-17,23,30H,3-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR a...				Bioorg Med Chem Lett 28: 2338-2342 (2018) Article DOI: 10.1016/j.bmcl.2017.04.060 BindingDB Entry DOI: 10.7270/Q2W95CP6
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50505123 (CHEMBL4460939) Show SMILES Fc1ccc(cc1Cl)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C19H16ClFN4O4/c20-13-10-12(2-3-14(13)21)24-5-7-25(8-6-24)18(27)17(26)22-11-1-4-15-16(9-11)29-19(28)23-15/h1-4,9-10H,5-8H2,(H,22,26)(H,23,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50505118 (CHEMBL4463054) Show SMILES C[C@@H]1CN(CCN1c1ccc(F)c(F)c1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 |r| Show InChI InChI=1S/C20H18F2N4O4/c1-11-10-25(6-7-26(11)13-3-4-14(21)15(22)9-13)19(28)18(27)23-12-2-5-16-17(8-12)30-20(29)24-16/h2-5,8-9,11H,6-7,10H2,1H3,(H,23,27)(H,24,29)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50269751 (CHEMBL4065330) Show SMILES O[C@]1(Cc2cc(on2)-c2ccc(=O)[nH]c2)CC[C@H](Cc2ccccc2)CC1 |r,wD:1.0,17.19,(15.39,-6.27,;16.16,-7.61,;14.62,-7.61,;13.85,-8.94,;12.32,-9.1,;12,-10.6,;13.33,-11.37,;14.48,-10.34,;10.59,-11.23,;9.35,-10.32,;7.95,-10.95,;7.79,-12.48,;6.38,-13.11,;9.04,-13.39,;10.44,-12.76,;17.49,-6.83,;18.82,-7.61,;18.82,-9.15,;20.15,-9.92,;21.49,-9.15,;22.82,-9.92,;24.15,-9.16,;24.16,-7.62,;22.81,-6.84,;21.48,-7.62,;17.49,-9.91,;16.16,-9.15,)| Show InChI InChI=1S/C22H24N2O3/c25-21-7-6-18(15-23-21)20-13-19(24-27-20)14-22(26)10-8-17(9-11-22)12-16-4-2-1-3-5-16/h1-7,13,15,17,26H,8-12,14H2,(H,23,25)/t17-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracell...				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50505136 (CHEMBL4460020) Show SMILES Fc1ccc(cc1F)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C19H16F2N4O4/c20-13-3-2-12(10-14(13)21)24-5-7-25(8-6-24)18(27)17(26)22-11-1-4-15-16(9-11)29-19(28)23-15/h1-4,9-10H,5-8H2,(H,22,26)(H,23,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50532065 (CHEMBL4439493) Show SMILES CCC(CC)C1N(C(=O)C(O)=C1C(=O)c1ccc(OC)cc1)c1ccc(cc1)-c1ccon1 |c:10| Show InChI InChI=1S/C26H26N2O5/c1-4-16(5-2)23-22(24(29)18-8-12-20(32-3)13-9-18)25(30)26(31)28(23)19-10-6-17(7-11-19)21-14-15-33-27-21/h6-16,23,30H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in rat C6BU-1 cells measured up to 3 mins by Fluo-3/AM dye-based fluorescence assay				Bioorg Med Chem Lett 29: 688-693 (2019) Article DOI: 10.1016/j.bmcl.2019.01.039 BindingDB Entry DOI: 10.7270/Q23F4T48
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50269753 (CHEMBL4103672) Show SMILES O[C@]1(CC(=O)Nc2ccc3NC(=O)CCc3c2)CC[C@H](Cc2ccccc2)CC1 |r,wD:1.0,19.21,(14.58,-10.29,;15.35,-11.63,;13.81,-11.63,;13.04,-12.96,;13.81,-14.3,;11.5,-12.96,;10.73,-14.3,;11.51,-15.62,;10.75,-16.95,;9.2,-16.96,;8.43,-18.3,;6.89,-18.3,;6.12,-19.63,;6.11,-16.96,;6.89,-15.62,;8.42,-15.62,;9.2,-14.29,;16.68,-10.85,;18.01,-11.63,;18.01,-13.17,;19.34,-13.94,;20.68,-13.17,;22.01,-13.95,;23.34,-13.18,;23.35,-11.64,;22,-10.87,;20.68,-11.64,;16.68,-13.93,;15.35,-13.17,)| Show InChI InChI=1S/C24H28N2O3/c27-22-9-6-19-15-20(7-8-21(19)26-22)25-23(28)16-24(29)12-10-18(11-13-24)14-17-4-2-1-3-5-17/h1-5,7-8,15,18,29H,6,9-14,16H2,(H,25,28)(H,26,27)/t18-,24+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracell...				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50505134 (CHEMBL4455039) Show SMILES Clc1ccc(CC2CCN(CC2)C(=O)c2cc(on2)-c2ccc(=O)[nH]c2)cc1 Show InChI InChI=1S/C21H20ClN3O3/c22-17-4-1-14(2-5-17)11-15-7-9-25(10-8-15)21(27)18-12-19(28-24-18)16-3-6-20(26)23-13-16/h1-6,12-13,15H,7-11H2,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50532072 (CHEMBL4592312) Show SMILES COCCOc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)(C)C)c1ccc(cc1)-c1ccsc1 |c:17| Show InChI InChI=1S/C28H29NO5S/c1-28(2,3)26(31)23-24(21-7-5-6-8-22(21)34-15-14-33-4)29(27(32)25(23)30)20-11-9-18(10-12-20)19-13-16-35-17-19/h5-13,16-17,24,30H,14-15H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in rat C6BU-1 cells measured up to 3 mins by Fluo-3/AM dye-based fluorescence assay				Bioorg Med Chem Lett 29: 688-693 (2019) Article DOI: 10.1016/j.bmcl.2019.01.039 BindingDB Entry DOI: 10.7270/Q23F4T48
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50532080 (CHEMBL4466162) Show SMILES CNC(=O)c1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1 |c:13| Show InChI InChI=1S/C28H27N3O5/c1-29-27(34)20-9-7-19(8-10-20)25(32)23-24(18-5-3-2-4-6-18)31(28(35)26(23)33)21-13-11-17(12-14-21)22-15-16-36-30-22/h7-16,18,24,33H,2-6H2,1H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in rat C6BU-1 cells measured up to 3 mins by Fluo-3/AM dye-based fluorescence assay				Bioorg Med Chem Lett 29: 688-693 (2019) Article DOI: 10.1016/j.bmcl.2019.01.039 BindingDB Entry DOI: 10.7270/Q23F4T48
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50532066 (CHEMBL4537290) Show SMILES CC(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1ccsc1 |c:5| Show InChI InChI=1S/C26H25NO5S/c1-16(2)24(29)22-23(20-5-3-4-6-21(20)32-13-12-28)27(26(31)25(22)30)19-9-7-17(8-10-19)18-11-14-33-15-18/h3-11,14-16,23,28,30H,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in rat C6BU-1 cells measured up to 3 mins by Fluo-3/AM dye-based fluorescence assay				Bioorg Med Chem Lett 29: 688-693 (2019) Article DOI: 10.1016/j.bmcl.2019.01.039 BindingDB Entry DOI: 10.7270/Q23F4T48
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50505122 (CHEMBL4583880) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C20H18ClFN4O4/c1-11-10-25(13-3-4-14(21)15(22)9-13)6-7-26(11)19(28)18(27)23-12-2-5-16-17(8-12)30-20(29)24-16/h2-5,8-9,11H,6-7,10H2,1H3,(H,23,27)(H,24,29)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-ifenprodil from NR2B receptor in rat brain cerebral cortex membranes incubated for 120 mins by liquid scintillation counting met...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50505135 (CHEMBL4453597) Show SMILES O[C@@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(cc2)C(F)(F)F)CC1 |r,wU:15.17,1.1,(40.37,-25.74,;40.37,-27.28,;39.04,-26.5,;37.71,-27.27,;36.3,-26.63,;35.27,-27.77,;36.03,-29.11,;37.54,-28.8,;33.73,-27.77,;32.81,-26.51,;31.35,-26.98,;31.34,-28.53,;32.81,-29.01,;40.37,-28.82,;41.7,-29.6,;43.03,-28.84,;44.36,-29.61,;45.7,-28.84,;45.7,-27.29,;47.03,-26.52,;48.36,-27.29,;48.37,-28.84,;47.03,-29.61,;49.69,-26.51,;51.03,-27.28,;49.69,-24.97,;51.02,-25.73,;43.04,-27.29,;41.71,-26.52,)| Show InChI InChI=1S/C21H22F3N3O2/c22-21(23,24)17-3-1-14(2-4-17)9-15-5-7-20(28,8-6-15)11-18-10-19(29-27-18)16-12-25-26-13-16/h1-4,10,12-13,15,28H,5-9,11H2,(H,25,26)/t15-,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50505140 (CHEMBL4526884) Show SMILES Fc1cc(ccc1Cl)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C19H16ClFN4O4/c20-13-3-2-12(10-14(13)21)24-5-7-25(8-6-24)18(27)17(26)22-11-1-4-15-16(9-11)29-19(28)23-15/h1-4,9-10H,5-8H2,(H,22,26)(H,23,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-ifenprodil from NR2B receptor in rat brain cerebral cortex membranes incubated for 120 mins by liquid scintillation counting met...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50532070 (CHEMBL4466252) Show SMILES CC(C)(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1ccsc1 |c:6| Show InChI InChI=1S/C27H27NO5S/c1-27(2,3)25(31)22-23(20-6-4-5-7-21(20)33-14-13-29)28(26(32)24(22)30)19-10-8-17(9-11-19)18-12-15-34-16-18/h4-12,15-16,23,29-30H,13-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in rat C6BU-1 cells measured up to 3 mins by Fluo-3/AM dye-based fluorescence assay				Bioorg Med Chem Lett 29: 688-693 (2019) Article DOI: 10.1016/j.bmcl.2019.01.039 BindingDB Entry DOI: 10.7270/Q23F4T48
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50269770 (CHEMBL4065942) Show SMILES O[C@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(cc2)C(F)(F)F)CC1 |r,wD:1.0,15.17,(15.19,-7.36,;15.96,-8.7,;14.42,-8.7,;13.65,-10.03,;12.12,-10.19,;11.8,-11.69,;13.13,-12.46,;14.28,-11.43,;10.39,-12.32,;9.05,-11.55,;7.91,-12.58,;8.54,-13.99,;10.07,-13.83,;17.29,-7.92,;18.62,-8.7,;18.62,-10.24,;19.95,-11.01,;21.29,-10.24,;22.62,-11.01,;23.95,-10.25,;23.95,-8.7,;22.61,-7.93,;21.28,-8.7,;25.29,-7.93,;26.62,-8.7,;25.29,-6.39,;26.62,-7.16,;17.29,-11,;15.96,-10.24,)| Show InChI InChI=1S/C21H22F3N3O2/c22-21(23,24)17-3-1-14(2-4-17)9-15-5-7-20(28,8-6-15)11-18-10-19(29-27-18)16-12-25-26-13-16/h1-4,10,12-13,15,28H,5-9,11H2,(H,25,26)/t15-,20+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracell...				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50240470 (CHEMBL4092982 | US9969724, Example 27) Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc(CCO)c1 |r| Show InChI InChI=1S/C22H21Cl2N7O3/c23-16-7-14(31-9-12(4-6-32)27-11-31)1-2-15(16)22(33)28-13-3-5-30(10-13)21-19-18(17(24)8-26-21)20(25)29-34-19/h1-2,7-9,11,13,32H,3-6,10H2,(H2,25,29)(H,28,33)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Mochida Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin at pH 7.4				Bioorg Med Chem Lett 27: 2622-2628 (2017) Article DOI: 10.1016/j.bmcl.2017.03.002 BindingDB Entry DOI: 10.7270/Q28054RH
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50240487 (CHEMBL4066380 | US9969724, Example 32) Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc2ncccc12 |r| Show InChI InChI=1S/C23H18Cl2N8O2/c24-15-8-13(33-11-29-21-17(33)2-1-6-27-21)3-4-14(15)23(34)30-12-5-7-32(10-12)22-19-18(16(25)9-28-22)20(26)31-35-19/h1-4,6,8-9,11-12H,5,7,10H2,(H2,26,31)(H,30,34)/t12-/m1/s1	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Mochida Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 27: 2622-2628 (2017) Article DOI: 10.1016/j.bmcl.2017.03.002 BindingDB Entry DOI: 10.7270/Q28054RH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50269758 (CHEMBL4103723) Show SMILES O[C@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(F)cc2)CC1 |r,wD:1.0,15.17,(15.19,-7.36,;15.96,-8.7,;14.42,-8.7,;13.65,-10.03,;12.12,-10.19,;11.8,-11.69,;13.13,-12.46,;14.28,-11.43,;10.39,-12.32,;9.05,-11.55,;7.91,-12.58,;8.54,-13.99,;10.07,-13.83,;17.29,-7.92,;18.62,-8.7,;18.62,-10.24,;19.95,-11.01,;21.29,-10.24,;22.62,-11.01,;23.95,-10.25,;23.95,-8.7,;25.29,-7.93,;22.61,-7.93,;21.28,-8.7,;17.29,-11,;15.96,-10.24,)| Show InChI InChI=1S/C20H22FN3O2/c21-17-3-1-14(2-4-17)9-15-5-7-20(25,8-6-15)11-18-10-19(26-24-18)16-12-22-23-13-16/h1-4,10,12-13,15,25H,5-9,11H2,(H,22,23)/t15-,20+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Displacement of [3H]-ifenprodil from NR2B in Wistar rat brain membrane after 120 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Mus musculus)	BDBM50269758 (CHEMBL4103723) Show SMILES O[C@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(F)cc2)CC1 |r,wD:1.0,15.17,(15.19,-7.36,;15.96,-8.7,;14.42,-8.7,;13.65,-10.03,;12.12,-10.19,;11.8,-11.69,;13.13,-12.46,;14.28,-11.43,;10.39,-12.32,;9.05,-11.55,;7.91,-12.58,;8.54,-13.99,;10.07,-13.83,;17.29,-7.92,;18.62,-8.7,;18.62,-10.24,;19.95,-11.01,;21.29,-10.24,;22.62,-11.01,;23.95,-10.25,;23.95,-8.7,;25.29,-7.93,;22.61,-7.93,;21.28,-8.7,;17.29,-11,;15.96,-10.24,)| Show InChI InChI=1S/C20H22FN3O2/c21-17-3-1-14(2-4-17)9-15-5-7-20(25,8-6-15)11-18-10-19(26-24-18)16-12-22-23-13-16/h1-4,10,12-13,15,25H,5-9,11H2,(H,22,23)/t15-,20+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Research Laboratory, Shionogi& Co Ltd, 1-1 Futabacho, 3-chome, Toyonaka 561-0825, Japan. Electronic address: kousuke.anan@shionogi.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracell...				Bioorg Med Chem Lett 27: 4194-4198 (2017) Article DOI: 10.1016/j.bmcl.2017.06.076 BindingDB Entry DOI: 10.7270/Q2VX0K0Q
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50532078 (CHEMBL4437131) Show SMILES CC(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCC[S+](C)[O-])c1ccc(cc1)-c1ccsc1 |c:5| Show InChI InChI=1S/C27H27NO5S2/c1-17(2)25(29)23-24(21-6-4-5-7-22(21)33-13-15-35(3)32)28(27(31)26(23)30)20-10-8-18(9-11-20)19-12-14-34-16-19/h4-12,14,16-17,24,30H,13,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in rat C6BU-1 cells measured up to 3 mins by Fluo-3/AM dye-based fluorescence assay				Bioorg Med Chem Lett 29: 688-693 (2019) Article DOI: 10.1016/j.bmcl.2019.01.039 BindingDB Entry DOI: 10.7270/Q23F4T48
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50240471 (CHEMBL4069082 | US9969724, Example 45) Show SMILES Cn1ncn(-c2ccc(C(=O)N[C@@H]3CCN(C3)c3ncc(Cl)c4c(N)noc34)c(Cl)c2)c1=O |r| Show InChI InChI=1S/C20H18Cl2N8O3/c1-28-20(32)30(9-25-28)11-2-3-12(13(21)6-11)19(31)26-10-4-5-29(8-10)18-16-15(14(22)7-24-18)17(23)27-33-16/h2-3,6-7,9-10H,4-5,8H2,1H3,(H2,23,27)(H,26,31)/t10-/m1/s1	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Mochida Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin at pH 7.4				Bioorg Med Chem Lett 27: 2622-2628 (2017) Article DOI: 10.1016/j.bmcl.2017.03.002 BindingDB Entry DOI: 10.7270/Q28054RH
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50532082 (CHEMBL4572081) Show SMILES CN(C)CCOc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)(C)C)c1ccc(cc1)-c1ccsc1 |c:18| Show InChI InChI=1S/C29H32N2O4S/c1-29(2,3)27(33)24-25(22-8-6-7-9-23(22)35-16-15-30(4)5)31(28(34)26(24)32)21-12-10-19(11-13-21)20-14-17-36-18-20/h6-14,17-18,25,32H,15-16H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in rat C6BU-1 cells measured up to 3 mins by Fluo-3/AM dye-based fluorescence assay				Bioorg Med Chem Lett 29: 688-693 (2019) Article DOI: 10.1016/j.bmcl.2019.01.039 BindingDB Entry DOI: 10.7270/Q23F4T48
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50532081 (CHEMBL4454941) Show SMILES COc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)C)c1ccc(cc1)-c1ccsc1 |c:14| Show InChI InChI=1S/C25H23NO4S/c1-15(2)23(27)21-22(19-6-4-5-7-20(19)30-3)26(25(29)24(21)28)18-10-8-16(9-11-18)17-12-13-31-14-17/h4-15,22,28H,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in rat C6BU-1 cells measured up to 3 mins by Fluo-3/AM dye-based fluorescence assay				Bioorg Med Chem Lett 29: 688-693 (2019) Article DOI: 10.1016/j.bmcl.2019.01.039 BindingDB Entry DOI: 10.7270/Q23F4T48
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50505147 (CHEMBL4451442) Show SMILES Clc1ccc(cc1)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C19H17ClN4O4/c20-12-1-4-14(5-2-12)23-7-9-24(10-8-23)18(26)17(25)21-13-3-6-15-16(11-13)28-19(27)22-15/h1-6,11H,7-10H2,(H,21,25)(H,22,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-ifenprodil from NR2B receptor in rat brain cerebral cortex membranes incubated for 120 mins by liquid scintillation counting met...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50505124 (CHEMBL4534333) Show SMILES Fc1cc(ccc1C(F)(F)F)N1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C20H16F4N4O4/c21-14-10-12(2-3-13(14)20(22,23)24)27-5-7-28(8-6-27)18(30)17(29)25-11-1-4-15-16(9-11)32-19(31)26-15/h1-4,9-10H,5-8H2,(H,25,29)(H,26,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-ifenprodil from NR2B receptor in rat brain cerebral cortex membranes incubated for 120 mins by liquid scintillation counting met...				Bioorg Med Chem Lett 29: 1143-1147 (2019) Article DOI: 10.1016/j.bmcl.2019.02.017 BindingDB Entry DOI: 10.7270/Q2P55RSV
					More data for this Ligand-Target Pair

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