Compile Data Set for Download or QSAR

Found 329 hits with Last Name = 'trivedi' 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 (Rattus norvegicus (Rat))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1 Show InChI InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344250 (CHEMBL1779003 | N-((5-(4-fluoro-2-methoxyphenyl)py...) Show SMILES COc1cc(F)ccc1-c1cncc(CNC2CCCC2)c1 Show InChI InChI=1S/C18H21FN2O/c1-22-18-9-15(19)6-7-17(18)14-8-13(10-20-12-14)11-21-16-4-2-3-5-16/h6-10,12,16,21H,2-5,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344232 (1-cyclopropyl-N-((6-(4-fluoro-2-methoxyphenyl)pyra...) Show SMILES COc1cc(F)ccc1-c1cncc(CNCC2CC2)n1 Show InChI InChI=1S/C16H18FN3O/c1-21-16-6-12(17)4-5-14(16)15-10-19-9-13(20-15)8-18-7-11-2-3-11/h4-6,9-11,18H,2-3,7-8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344251 (CHEMBL1779004 | N-((4'-fluoro-2'-methoxybiphenyl-3...) Show SMILES COc1cc(F)ccc1-c1cccc(CNC2CCCC2)c1 Show InChI InChI=1S/C19H22FNO/c1-22-19-12-16(20)9-10-18(19)15-6-4-5-14(11-15)13-21-17-7-2-3-8-17/h4-6,9-12,17,21H,2-3,7-8,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344233 (CHEMBL1778866 | N-((6-(4-fluoro-2-methoxyphenyl)py...) Show SMILES COc1cc(F)ccc1-c1cncc(CNC2CCC2)n1 Show InChI InChI=1S/C16H18FN3O/c1-21-16-7-11(17)5-6-14(16)15-10-18-8-13(20-15)9-19-12-3-2-4-12/h5-8,10,12,19H,2-4,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344234 (CHEMBL1778867 | N-((6-(4-fluoro-2-methoxyphenyl)py...) Show SMILES COc1cc(F)ccc1-c1cncc(CNC2CCCC2)n1 Show InChI InChI=1S/C17H20FN3O/c1-22-17-8-12(18)6-7-15(17)16-11-19-9-14(21-16)10-20-13-4-2-3-5-13/h6-9,11,13,20H,2-5,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344252 (CHEMBL1779005 | N-((6-(4-fluoro-2-methoxyphenyl)py...) Show SMILES COc1cc(F)ccc1-c1cccc(CNC2CCCC2)n1 Show InChI InChI=1S/C18H21FN2O/c1-22-18-11-13(19)9-10-16(18)17-8-4-7-15(21-17)12-20-14-5-2-3-6-14/h4,7-11,14,20H,2-3,5-6,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344259 (CHEMBL1779012 | N-((5-(4-fluoro-2-methoxyphenyl)py...) Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)c2cnccn2)c1 Show InChI InChI=1S/C18H15FN4O2/c1-25-17-7-14(19)2-3-15(17)13-6-12(8-21-10-13)9-23-18(24)16-11-20-4-5-22-16/h2-8,10-11H,9H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344254 (CHEMBL1779007 | N-((5-(4-fluoro-2-methoxyphenyl)py...) Show SMILES COc1cc(F)ccc1-c1cncc(CNC2CCCCC2)c1 Show InChI InChI=1S/C19H23FN2O/c1-23-19-10-16(20)7-8-18(19)15-9-14(11-21-13-15)12-22-17-5-3-2-4-6-17/h7-11,13,17,22H,2-6,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344260 (CHEMBL1779013 | N-((5-(4-fluoro-2-methoxyphenyl)py...) Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccn2)c1 Show InChI InChI=1S/C19H16FN3O2/c1-25-18-9-15(20)5-6-16(18)14-8-13(10-21-12-14)11-23-19(24)17-4-2-3-7-22-17/h2-10,12H,11H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344241 (CHEMBL1778994 | N-((6-(2,3-difluorophenyl)pyrazin-...) Show SMILES Fc1cccc(c1F)-c1cncc(CNC2CCC2)n1 Show InChI InChI=1S/C15H15F2N3/c16-13-6-2-5-12(15(13)17)14-9-18-7-11(20-14)8-19-10-3-1-4-10/h2,5-7,9-10,19H,1,3-4,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344235 (CHEMBL1778868 | N-((6-(4-fluoro-2-methoxyphenyl)py...) Show SMILES COCCNCc1cncc(n1)-c1ccc(F)cc1OC Show InChI InChI=1S/C15H18FN3O2/c1-20-6-5-17-8-12-9-18-10-14(19-12)13-4-3-11(16)7-15(13)21-2/h3-4,7,9-10,17H,5-6,8H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344236 (CHEMBL1778869 | N-((6-(4-fluoro-2-methoxyphenyl)py...) Show SMILES COc1cc(F)ccc1-c1cncc(CNCC(C)C)n1 Show InChI InChI=1S/C16H20FN3O/c1-11(2)7-18-8-13-9-19-10-15(20-13)14-5-4-12(17)6-16(14)21-3/h4-6,9-11,18H,7-8H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	217	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344237 (CHEMBL1778870 | N-((6-(4-fluoro-2-methoxyphenyl)py...) Show SMILES CCNCc1cncc(n1)-c1ccc(F)cc1OC Show InChI InChI=1S/C14H16FN3O/c1-3-16-7-11-8-17-9-13(18-11)12-5-4-10(15)6-14(12)19-2/h4-6,8-9,16H,3,7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	255	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344255 (CHEMBL1779008 | N-((5-(4-fluoro-2-methoxyphenyl)py...) Show SMILES COc1cc(F)ccc1-c1cncc(CNC(C)C)c1 Show InChI InChI=1S/C16H19FN2O/c1-11(2)19-9-12-6-13(10-18-8-12)15-5-4-14(17)7-16(15)20-3/h4-8,10-11,19H,9H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	266	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344262 (CHEMBL1779015 | N-((5-(4-fluoro-2-methoxyphenyl)py...) Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)N2CCCC2)c1 Show InChI InChI=1S/C18H20FN3O2/c1-24-17-9-15(19)4-5-16(17)14-8-13(10-20-12-14)11-21-18(23)22-6-2-3-7-22/h4-5,8-10,12H,2-3,6-7,11H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	268	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344264 (CHEMBL1779016 | N-((5-(4-fluoro-2-methoxyphenyl)py...) Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)C2CCC2)c1 Show InChI InChI=1S/C18H19FN2O2/c1-23-17-8-15(19)5-6-16(17)14-7-12(9-20-11-14)10-21-18(22)13-3-2-4-13/h5-9,11,13H,2-4,10H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344242 (1-cyclopropyl-N-((6-(2,3-difluorophenyl)pyrazin-2-...) Show SMILES Fc1cccc(c1F)-c1cncc(CNCC2CC2)n1 Show InChI InChI=1S/C15H15F2N3/c16-13-3-1-2-12(15(13)17)14-9-19-8-11(20-14)7-18-6-10-4-5-10/h1-3,8-10,18H,4-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	341	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344265 (3-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methy...) Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)N(C)C)c1 Show InChI InChI=1S/C16H18FN3O2/c1-20(2)16(21)19-9-11-6-12(10-18-8-11)14-5-4-13(17)7-15(14)22-3/h4-8,10H,9H2,1-3H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344238 (CHEMBL1778991 | N-((6-(4-fluoro-2-methoxyphenyl)py...) Show SMILES COc1cc(F)ccc1-c1cncc(CNC2CC2)n1 Show InChI InChI=1S/C15H16FN3O/c1-20-15-6-10(16)2-5-13(15)14-9-17-7-12(19-14)8-18-11-3-4-11/h2,5-7,9,11,18H,3-4,8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	429	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344256 (3-(4-fluoro-2-methoxyphenyl)-5-(pyrrolidin-2-yl)py...) Show SMILES COc1cc(F)ccc1-c1cncc(c1)C1CCCN1 Show InChI InChI=1S/C16H17FN2O/c1-20-16-8-13(17)4-5-14(16)11-7-12(10-18-9-11)15-3-2-6-19-15/h4-5,7-10,15,19H,2-3,6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344261 (CHEMBL1779014 | N-((5-(4-fluoro-2-methoxyphenyl)py...) Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccc2)c1 Show InChI InChI=1S/C20H17FN2O2/c1-25-19-10-17(21)7-8-18(19)16-9-14(11-22-13-16)12-23-20(24)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344257 (CHEMBL1779010 | N-benzyl-5-(4-fluoro-2-methoxyphen...) Show SMILES COc1cc(F)ccc1-c1cncc(NCc2ccccc2)c1 Show InChI InChI=1S/C19H17FN2O/c1-23-19-10-16(20)7-8-18(19)15-9-17(13-21-12-15)22-11-14-5-3-2-4-6-14/h2-10,12-13,22H,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	457	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344266 (CHEMBL1779018 | N-((5-(4-fluoro-2-methoxyphenyl)py...) Show SMILES CCCC(=O)NCc1cncc(c1)-c1ccc(F)cc1OC Show InChI InChI=1S/C17H19FN2O2/c1-3-4-17(21)20-10-12-7-13(11-19-9-12)15-6-5-14(18)8-16(15)22-2/h5-9,11H,3-4,10H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	468	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344267 (CHEMBL1779019 | N-((5-(4-fluoro-2-methoxyphenyl)py...) Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)C2CC2)c1 Show InChI InChI=1S/C17H17FN2O2/c1-22-16-7-14(18)4-5-15(16)13-6-11(8-19-10-13)9-20-17(21)12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	595	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344244 (1-cyclopropyl-N-((6-(2-fluoro-3-methoxyphenyl)pyra...) Show SMILES COc1cccc(c1F)-c1cncc(CNCC2CC2)n1 Show InChI InChI=1S/C16H18FN3O/c1-21-15-4-2-3-13(16(15)17)14-10-19-9-12(20-14)8-18-7-11-5-6-11/h2-4,9-11,18H,5-8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	602	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344239 ((S)-1-(6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl)-N...) Show SMILES COc1cc(F)ccc1-c1cncc(CNC[C@@H]2CCCO2)n1 |r| Show InChI InChI=1S/C17H20FN3O2/c1-22-17-7-12(18)4-5-15(17)16-11-20-9-13(21-16)8-19-10-14-3-2-6-23-14/h4-5,7,9,11,14,19H,2-3,6,8,10H2,1H3/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344258 (5-(4-fluoro-2-methoxyphenyl)-N-(tetrahydro-2H-pyra...) Show SMILES COc1cc(F)ccc1-c1cncc(NC2CCCOC2)c1 Show InChI InChI=1S/C17H19FN2O2/c1-21-17-8-13(18)4-5-16(17)12-7-15(10-19-9-12)20-14-3-2-6-22-11-14/h4-5,7-10,14,20H,2-3,6,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	705	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344268 (CHEMBL1779020 | ethyl 2-((5-(4-fluoro-2-methoxyphe...) Show SMILES CCOC(=O)C(=O)NCc1cncc(c1)-c1ccc(F)cc1OC Show InChI InChI=1S/C17H17FN2O4/c1-3-24-17(22)16(21)20-9-11-6-12(10-19-8-11)14-5-4-13(18)7-15(14)23-2/h4-8,10H,3,9H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	778	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344246 (3-(6-((cyclopentylamino)methyl)pyrazin-2-yl)benzon...) Show SMILES N#Cc1cccc(c1)-c1cncc(CNC2CCCC2)n1 Show InChI InChI=1S/C17H18N4/c18-9-13-4-3-5-14(8-13)17-12-19-10-16(21-17)11-20-15-6-1-2-7-15/h3-5,8,10,12,15,20H,1-2,6-7,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344247 (4-(6-((cyclopentylamino)methyl)pyrazin-2-yl)benzon...) Show SMILES N#Cc1ccc(cc1)-c1cncc(CNC2CCCC2)n1 Show InChI InChI=1S/C17H18N4/c18-9-13-5-7-14(8-6-13)17-12-19-10-16(21-17)11-20-15-3-1-2-4-15/h5-8,10,12,15,20H,1-4,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344248 (CHEMBL1779001 | N-((6-(2,4-dimethoxyphenyl)pyrazin...) Show SMILES COc1ccc(c(OC)c1)-c1cncc(CNC2CCCC2)n1 Show InChI InChI=1S/C18H23N3O2/c1-22-15-7-8-16(18(9-15)23-2)17-12-19-10-14(21-17)11-20-13-5-3-4-6-13/h7-10,12-13,20H,3-6,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344243 (CHEMBL1778996 | N-((6-(2,3-difluorophenyl)pyrazin-...) Show SMILES Fc1cccc(c1F)-c1cncc(CNC2CC2)n1 Show InChI InChI=1S/C14H13F2N3/c15-12-3-1-2-11(14(12)16)13-8-17-6-10(19-13)7-18-9-4-5-9/h1-3,6,8-9,18H,4-5,7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344240 (1-(6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl)-N-(py...) Show SMILES COc1cc(F)ccc1-c1cncc(CNCc2ccccn2)n1 Show InChI InChI=1S/C18H17FN4O/c1-24-18-8-13(19)5-6-16(18)17-12-21-11-15(23-17)10-20-9-14-4-2-3-7-22-14/h2-8,11-12,20H,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344245 (CHEMBL1778998 | N-((6-(2-fluoro-3-methoxyphenyl)py...) Show SMILES COc1cccc(c1F)-c1cncc(CNC2CC2)n1 Show InChI InChI=1S/C15H16FN3O/c1-20-14-4-2-3-12(15(14)16)13-9-17-7-11(19-13)8-18-10-5-6-10/h2-4,7,9-10,18H,5-6,8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344253 (CHEMBL1779006 | N-((2-(4-fluoro-2-methoxyphenyl)py...) Show SMILES COc1cc(F)ccc1-c1cc(CNC2CCCC2)ccn1 Show InChI InChI=1S/C18H21FN2O/c1-22-18-11-14(19)6-7-16(18)17-10-13(8-9-20-17)12-21-15-4-2-3-5-15/h6-11,15,21H,2-5,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50344249 (CHEMBL1779002 | N-(3-(6-((cyclopentylamino)methyl)...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(CNC2CCCC2)n1 Show InChI InChI=1S/C18H22N4O/c1-13(23)21-16-8-4-5-14(9-16)18-12-19-10-17(22-18)11-20-15-6-2-3-7-15/h4-5,8-10,12,15,20H,2-3,6-7,11H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane				Bioorg Med Chem Lett 21: 3399-403 (2011) Article DOI: 10.1016/j.bmcl.2011.03.117 BindingDB Entry DOI: 10.7270/Q29887BK
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50140282 (1-{4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2ccc(C[N+]34CCN(CC3)CC4)cc2)cc1)N(C)C Show InChI InChI=1S/C40H56N3O4S/c1-5-7-19-40(20-8-6-2)30-48(45,46)37-18-15-34(41(3)4)27-36(37)38(39(40)44)33-13-16-35(17-14-33)47-29-32-11-9-31(10-12-32)28-43-24-21-42(22-25-43)23-26-43/h9-18,27,38-39,44H,5-8,19-26,28-30H2,1-4H3/q+1/t38-,39-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172695 (CHEMBL370103 | {2-[3-((4R,5R)-3,3-Dibutyl-7-dimeth...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(NCC(=O)NCC(O)=O)c1)N(C)C Show InChI InChI=1S/C30H43N3O6S/c1-5-7-14-30(15-8-6-2)20-40(38,39)25-13-12-23(33(3)4)17-24(25)28(29(30)37)21-10-9-11-22(16-21)31-18-26(34)32-19-27(35)36/h9-13,16-17,28-29,31,37H,5-8,14-15,18-20H2,1-4H3,(H,32,34)(H,35,36)/t28-,29-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172649 (1-{5-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCCCC[N+]23CCN(CC2)CC3)cc1)N(C)C Show InChI InChI=1S/C37H58N3O4S/c1-5-7-18-37(19-8-6-2)29-45(42,43)34-17-14-31(38(3)4)28-33(34)35(36(37)41)30-12-15-32(16-13-30)44-27-11-9-10-23-40-24-20-39(21-25-40)22-26-40/h12-17,28,35-36,41H,5-11,18-27,29H2,1-4H3/q+1/t35-,36-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172702 (4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hydrox...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2cc[n+](C)cc2)cc1)N(C)C Show InChI InChI=1S/C33H45N2O4S/c1-6-8-18-33(19-9-7-2)24-40(37,38)30-15-12-27(34(3)4)22-29(30)31(32(33)36)26-10-13-28(14-11-26)39-23-25-16-20-35(5)21-17-25/h10-17,20-22,31-32,36H,6-9,18-19,23-24H2,1-5H3/q+1/t31-,32-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50370667 (CHEMBL555246) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(NC(=O)CCCC[N+](CC)(CC)CC)c1)N(C)C |r| Show InChI InChI=1S/C37H59N3O4S/c1-8-13-23-37(24-14-9-2)28-45(43,44)33-22-21-31(39(6)7)27-32(33)35(36(37)42)29-18-17-19-30(26-29)38-34(41)20-15-16-25-40(10-3,11-4)12-5/h17-19,21-22,26-27,35-36,42H,8-16,20,23-25,28H2,1-7H3/p+1/t35-,36-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50559322 (CHEMBL4787382) Show SMILES C[C@H](Nc1nc(N)nc(C)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01264 BindingDB Entry DOI: 10.7270/Q2RN3CJV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50168472 (CHEMBL3805348 | US9765060, Compound X) Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-15-9-5-8-14(22)16(15)21(30)29(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01264 BindingDB Entry DOI: 10.7270/Q2RN3CJV
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172668 (1-{4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2ccc(C[n+]3ccccc3)cc2)cc1)N(C)C Show InChI InChI=1S/C39H49N2O4S/c1-5-7-22-39(23-8-6-2)29-46(43,44)36-21-18-33(40(3)4)26-35(36)37(38(39)42)32-16-19-34(20-17-32)45-28-31-14-12-30(13-15-31)27-41-24-10-9-11-25-41/h9-21,24-26,37-38,42H,5-8,22-23,27-29H2,1-4H3/q+1/t37-,38-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172709 (1-{4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCCC[N+]23CCN(CC2)CC3)cc1)N(C)C Show InChI InChI=1S/C36H56N3O4S/c1-5-7-17-36(18-8-6-2)28-44(41,42)33-16-13-30(37(3)4)27-32(33)34(35(36)40)29-11-14-31(15-12-29)43-26-10-9-22-39-23-19-38(20-24-39)21-25-39/h11-16,27,34-35,40H,5-10,17-26,28H2,1-4H3/q+1/t34-,35-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50168472 (CHEMBL3805348 | US9765060, Compound X) Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-15-9-5-8-14(22)16(15)21(30)29(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01264 BindingDB Entry DOI: 10.7270/Q2RN3CJV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50559321 (CHEMBL4754291) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1cccc(C)c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01264 BindingDB Entry DOI: 10.7270/Q2RN3CJV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50559323 (CHEMBL4794328) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01264 BindingDB Entry DOI: 10.7270/Q2RN3CJV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50559327 (CHEMBL4787659) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2cccc(C)n2c(=O)c1-c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01264 BindingDB Entry DOI: 10.7270/Q2RN3CJV
					More data for this Ligand-Target Pair

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