Compile Data Set for Download or QSAR

Found 124 hits of ic50 for UniProtKB: P26431   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50353115 (CHEMBL1829127) Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3NC(=O)c3sccc3C)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C30H38N6O6S/c1-19-9-16-43-27(19)29(38)33-22-17-20(28(37)34-30(31)32)5-7-23(22)42-15-14-35-10-12-36(13-11-35)18-21-6-8-24(39-2)26(41-4)25(21)40-3/h5-9,16-17H,10-15,18H2,1-4H3,(H,33,38)(H4,31,32,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0680	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis				Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50353110 (CHEMBL1829122) Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3NC(=O)c3ccccc3[N+]([O-])=O)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C31H37N7O8/c1-43-26-11-9-21(27(44-2)28(26)45-3)19-37-14-12-36(13-15-37)16-17-46-25-10-8-20(29(39)35-31(32)33)18-23(25)34-30(40)22-6-4-5-7-24(22)38(41)42/h4-11,18H,12-17,19H2,1-3H3,(H,34,40)(H4,32,33,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0730	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis				Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50353113 (CHEMBL1829125) Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3NC(=O)c3ccc(Cl)cc3Cl)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C31H36Cl2N6O6/c1-42-26-9-5-20(27(43-2)28(26)44-3)18-39-12-10-38(11-13-39)14-15-45-25-8-4-19(29(40)37-31(34)35)16-24(25)36-30(41)22-7-6-21(32)17-23(22)33/h4-9,16-17H,10-15,18H2,1-3H3,(H,36,41)(H4,34,35,37,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0840	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis				Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50353114 (CHEMBL1829126) Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3NC(=O)c3cccs3)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C29H36N6O6S/c1-38-23-9-7-20(25(39-2)26(23)40-3)18-35-12-10-34(11-13-35)14-15-41-22-8-6-19(27(36)33-29(30)31)17-21(22)32-28(37)24-5-4-16-42-24/h4-9,16-17H,10-15,18H2,1-3H3,(H,32,37)(H4,30,31,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0910	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis				Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50353111 (CHEMBL1829123) Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3NS(=O)(=O)c3ccc(C)cc3)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C31H40N6O7S/c1-21-5-9-24(10-6-21)45(39,40)35-25-19-22(30(38)34-31(32)33)7-11-26(25)44-18-17-36-13-15-37(16-14-36)20-23-8-12-27(41-2)29(43-4)28(23)42-3/h5-12,19,35H,13-18,20H2,1-4H3,(H4,32,33,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis				Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50353097 (CHEMBL1829132) Show SMILES COc1ccc(CN2CCN(CCCOc3ccc(cc3NC(=O)c3ccccc3[N+]([O-])=O)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C32H39N7O8/c1-44-27-12-10-22(28(45-2)29(27)46-3)20-38-16-14-37(15-17-38)13-6-18-47-26-11-9-21(30(40)36-32(33)34)19-24(26)35-31(41)23-7-4-5-8-25(23)39(42)43/h4-5,7-12,19H,6,13-18,20H2,1-3H3,(H,35,41)(H4,33,34,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis				Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50353116 (CHEMBL1829128) Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3NC(=O)c3ccsc3)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C29H36N6O6S/c1-38-24-7-5-20(25(39-2)26(24)40-3)17-35-11-9-34(10-12-35)13-14-41-23-6-4-19(27(36)33-29(30)31)16-22(23)32-28(37)21-8-15-42-18-21/h4-8,15-16,18H,9-14,17H2,1-3H3,(H,32,37)(H4,30,31,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis				Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50353098 (CHEMBL1829133) Show SMILES COc1ccc(CN2CCN(CCCOc3ccc(cc3NS(=O)(=O)c3ccc(C)cc3)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C32H42N6O7S/c1-22-6-10-25(11-7-22)46(40,41)36-26-20-23(31(39)35-32(33)34)8-12-27(26)45-19-5-14-37-15-17-38(18-16-37)21-24-9-13-28(42-2)30(44-4)29(24)43-3/h6-13,20,36H,5,14-19,21H2,1-4H3,(H4,33,34,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis				Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50353103 (CHEMBL1829139) Show SMILES COc1ccc(CN2CCN(CCCOc3ccc(cc3NC(=O)c3ccsc3)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C30H38N6O6S/c1-39-25-8-6-21(26(40-2)27(25)41-3)18-36-13-11-35(12-14-36)10-4-15-42-24-7-5-20(28(37)34-30(31)32)17-23(24)33-29(38)22-9-16-43-19-22/h5-9,16-17,19H,4,10-15,18H2,1-3H3,(H,33,38)(H4,31,32,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis				Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50353102 (CHEMBL1829138) Show SMILES COc1ccc(CN2CCN(CCCOc3ccc(cc3NC(=O)c3sccc3C)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C31H40N6O6S/c1-20-10-17-44-28(20)30(39)34-23-18-21(29(38)35-31(32)33)6-8-24(23)43-16-5-11-36-12-14-37(15-13-36)19-22-7-9-25(40-2)27(42-4)26(22)41-3/h6-10,17-18H,5,11-16,19H2,1-4H3,(H,34,39)(H4,32,33,35,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis				Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50378116 (CHEMBL1202327) Show SMILES COc1ccc2nc(SC3Cc4cc(Cl)ccc4C3=NN=C(N)N)[nH]c2c1 |w:19.21,(-3.73,2.77,;-3.72,1.54,;-2.38,.77,;-2.38,-.77,;-1.03,-1.56,;.3,-.77,;1.76,-1.24,;2.66,.02,;4.21,.04,;4.96,1.39,;4.31,2.74,;5.42,3.8,;5.37,5.35,;6.71,6.16,;6.68,7.39,;8.06,5.42,;8.1,3.86,;6.77,3.07,;6.48,1.56,;7.53,.42,;9.03,.76,;10.08,-.38,;11.29,-.11,;9.71,-1.55,;1.76,1.24,;.3,.77,;-1.03,1.56,)| Show InChI InChI=1S/C18H17ClN6OS/c1-26-11-3-5-13-14(8-11)23-18(22-13)27-15-7-9-6-10(19)2-4-12(9)16(15)24-25-17(20)21/h2-6,8,15H,7H2,1H3,(H,22,23)(H4,20,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay				Eur J Med Chem 44: 3771-6 (2009) Article DOI: 10.1016/j.ejmech.2009.04.036 BindingDB Entry DOI: 10.7270/Q2474BS7
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50353105 (CHEMBL1829117) Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3[N+]([O-])=O)C(=O)[NH+]=C(N)[NH-])CC2)c(OC)c1OC |w:25.25| Show InChI InChI=1S/C24H32N6O7/c1-34-20-7-5-17(21(35-2)22(20)36-3)15-29-10-8-28(9-11-29)12-13-37-19-6-4-16(14-18(19)30(32)33)23(31)27-24(25)26/h4-7,14H,8-13,15H2,1-3H3,(H4,25,26,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis				Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50353099 (CHEMBL1829134) Show SMILES COc1ccc(CN2CCN(CCCOc3ccc(cc3NC(=O)c3ccc(cc3)C(F)(F)F)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C33H39F3N6O6/c1-45-27-12-8-23(28(46-2)29(27)47-3)20-42-16-14-41(15-17-42)13-4-18-48-26-11-7-22(31(44)40-32(37)38)19-25(26)39-30(43)21-5-9-24(10-6-21)33(34,35)36/h5-12,19H,4,13-18,20H2,1-3H3,(H,39,43)(H4,37,38,40,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis				Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50297583 (CHEMBL560806 | N''-[2-(1H-benzimidazol-2-ylthio)-5...) Show SMILES NC(N)=NN=C1C(Cc2cc(ccc12)[N+]([O-])=O)Sc1nc2ccccc2[nH]1 |w:4.3,(23.89,-33.56,;22.38,-33.25,;21.9,-31.79,;21.36,-34.4,;19.85,-34.09,;18.83,-35.25,;17.29,-35.09,;16.68,-36.51,;17.83,-37.52,;17.84,-39.05,;19.17,-39.81,;20.5,-39.03,;20.48,-37.5,;19.16,-36.75,;19.19,-41.36,;17.86,-42.14,;20.53,-42.12,;16.51,-33.77,;14.97,-33.78,;14.05,-32.53,;12.59,-33.02,;11.25,-32.25,;9.92,-33.03,;9.92,-34.57,;11.25,-35.34,;12.6,-34.56,;14.07,-35.03,)| Show InChI InChI=1S/C17H15N7O2S/c18-16(19)23-22-15-11-6-5-10(24(25)26)7-9(11)8-14(15)27-17-20-12-3-1-2-4-13(12)21-17/h1-7,14H,8H2,(H,20,21)(H4,18,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay				Eur J Med Chem 44: 3771-6 (2009) Article DOI: 10.1016/j.ejmech.2009.04.036 BindingDB Entry DOI: 10.7270/Q2474BS7
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50207580 (CHEMBL234074 | N-[3-(5-nitro-1H-benzoimidazol-2-yl...) Show SMILES NC(=N)NC(=O)c1cccc(c1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O Show InChI InChI=1S/C15H12N6O3/c16-15(17)20-14(22)9-3-1-2-8(6-9)13-18-11-5-4-10(21(23)24)7-12(11)19-13/h1-7H,(H,18,19)(H4,16,17,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in rat platelets by Platelet swelling assay				Bioorg Med Chem Lett 17: 2430-3 (2007) Article DOI: 10.1016/j.bmcl.2007.02.035 BindingDB Entry DOI: 10.7270/Q21C1WJ1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50353101 (CHEMBL1829137) Show SMILES COc1ccc(CN2CCN(CCCOc3ccc(cc3NC(=O)c3cccs3)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C30H38N6O6S/c1-39-24-10-8-21(26(40-2)27(24)41-3)19-36-14-12-35(13-15-36)11-5-16-42-23-9-7-20(28(37)34-30(31)32)18-22(23)33-29(38)25-6-4-17-43-25/h4,6-10,17-18H,5,11-16,19H2,1-3H3,(H,33,38)(H4,31,32,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis				Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50297577 (CHEMBL549392 | N''-[2-(1H-benzimidazol-2-ylthio)-2...) Show SMILES NC(N)=NN=C1C(Cc2ccccc12)Sc1nc2ccccc2[nH]1 |w:4.3,(18.41,3.83,;16.9,4.15,;16.42,5.61,;15.87,3,;14.36,3.31,;13.33,2.17,;11.8,2.32,;11.17,.92,;12.32,-.11,;12.32,-1.64,;13.65,-2.41,;14.98,-1.63,;14.98,-.11,;13.65,.66,;11.03,3.65,;9.49,3.65,;8.57,4.91,;7.1,4.43,;5.75,5.19,;4.43,4.42,;4.42,2.87,;5.76,2.1,;7.1,2.87,;8.58,2.39,)| Show InChI InChI=1S/C17H16N6S/c18-16(19)23-22-15-11-6-2-1-5-10(11)9-14(15)24-17-20-12-7-3-4-8-13(12)21-17/h1-8,14H,9H2,(H,20,21)(H4,18,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay				Eur J Med Chem 44: 3771-6 (2009) Article DOI: 10.1016/j.ejmech.2009.04.036 BindingDB Entry DOI: 10.7270/Q2474BS7
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50297571 (CHEMBL561343 | N''-{2-[(5-nitro-1H-benzimidazol-2-...) Show SMILES NC(N)=NN=C1C(Cc2ccccc12)Sc1nc2ccc(cc2[nH]1)[N+]([O-])=O |w:4.3,(19.8,-22.61,;18.29,-22.3,;17.81,-20.83,;17.27,-23.45,;15.76,-23.13,;14.73,-24.28,;13.2,-24.13,;12.57,-25.53,;13.72,-26.55,;13.72,-28.08,;15.04,-28.85,;16.38,-28.08,;16.37,-26.55,;15.05,-25.79,;12.43,-22.79,;10.88,-22.79,;9.97,-24.05,;8.49,-23.57,;7.15,-24.34,;5.82,-23.57,;5.82,-22.02,;7.15,-21.25,;8.49,-22.02,;9.97,-21.54,;4.48,-21.26,;4.48,-19.71,;3.15,-22.03,)| Show InChI InChI=1S/C17H15N7O2S/c18-16(19)23-22-15-11-4-2-1-3-9(11)7-14(15)27-17-20-12-6-5-10(24(25)26)8-13(12)21-17/h1-6,8,14H,7H2,(H,20,21)(H4,18,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay				Eur J Med Chem 44: 3771-6 (2009) Article DOI: 10.1016/j.ejmech.2009.04.036 BindingDB Entry DOI: 10.7270/Q2474BS7
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50345911 (CHEMBL1783852 | CHEMBL1789669 | N-(diaminomethylen...) Show SMILES COc1ccc(CN2CCN(Cc3ccc(cc3[N+]([O-])=O)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C23H30N6O6/c1-33-19-7-6-17(20(34-2)21(19)35-3)14-28-10-8-27(9-11-28)13-16-5-4-15(12-18(16)29(31)32)22(30)26-23(24)25/h4-7,12H,8-11,13-14H2,1-3H3,(H4,24,25,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis				Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50297563 (CHEMBL550813 | N''-[2-(1,3-benzothiazol-2-ylthio)-...) Show SMILES [#6]-[#8]-c1ccc2-[#6]-[#6](-[#16]-c3nc4ccccc4s3)-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1 |w:19.21| Show InChI InChI=1S/C18H17N5OS2/c1-24-11-7-6-10-8-15(16(12(10)9-11)22-23-17(19)20)26-18-21-13-4-2-3-5-14(13)25-18/h2-7,9,15H,8H2,1H3,(H4,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay				Eur J Med Chem 44: 3771-6 (2009) Article DOI: 10.1016/j.ejmech.2009.04.036 BindingDB Entry DOI: 10.7270/Q2474BS7
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50297578 (2-{[(1E)-2-(1,3-benzothiazol-2-ylsulfanyl)-4,5,6-t...) Show SMILES [#6]-[#8]-c1cc2-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-[#6](-[#6]-c2c(-[#8]-[#6])c1-[#8]-[#6])-[#16]-c1nc2ccccc2s1 |w:6.6| Show InChI InChI=1S/C20H21N5O3S2/c1-26-13-8-10-11(17(27-2)18(13)28-3)9-15(16(10)24-25-19(21)22)30-20-23-12-6-4-5-7-14(12)29-20/h4-8,15H,9H2,1-3H3,(H4,21,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay				Eur J Med Chem 44: 3771-6 (2009) Article DOI: 10.1016/j.ejmech.2009.04.036 BindingDB Entry DOI: 10.7270/Q2474BS7
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50297580 (CHEMBL560884 | N''-[2-(1,3-benzothiazol-2-ylthio)-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-1-[#6](-[#6]-c2cc(Cl)ccc-12)-[#16]-c1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C17H14ClN5S2/c18-10-5-6-11-9(7-10)8-14(15(11)22-23-16(19)20)25-17-21-12-3-1-2-4-13(12)24-17/h1-7,14H,8H2,(H4,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay				Eur J Med Chem 44: 3771-6 (2009) Article DOI: 10.1016/j.ejmech.2009.04.036 BindingDB Entry DOI: 10.7270/Q2474BS7
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50297562 (CHEMBL563178 | N''-[2-(1,3-benzothiazol-2-ylthio)-...) Show SMILES [#6]-[#8]-c1cc2-[#6]-[#6](-[#16]-c3nc4ccccc4s3)-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2cc1-[#8]-[#6] |w:18.20| Show InChI InChI=1S/C19H19N5O2S2/c1-25-13-7-10-8-16(28-19-22-12-5-3-4-6-15(12)27-19)17(23-24-18(20)21)11(10)9-14(13)26-2/h3-7,9,16H,8H2,1-2H3,(H4,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.44	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay				Eur J Med Chem 44: 3771-6 (2009) Article DOI: 10.1016/j.ejmech.2009.04.036 BindingDB Entry DOI: 10.7270/Q2474BS7
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50345911 (CHEMBL1783852 | CHEMBL1789669 | N-(diaminomethylen...) Show SMILES COc1ccc(CN2CCN(Cc3ccc(cc3[N+]([O-])=O)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C23H30N6O6/c1-33-19-7-6-17(20(34-2)21(19)35-3)14-28-10-8-27(9-11-28)13-16-5-4-15(12-18(16)29(31)32)22(30)26-23(24)25/h4-7,12H,8-11,13-14H2,1-3H3,(H4,24,25,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1-mediated rat platelet swelling				Bioorg Med Chem Lett 19: 3283-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.079 BindingDB Entry DOI: 10.7270/Q2BR8SJ1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50207583 (CHEMBL234279 | N-[2-(5-nitro-1H-benzoimidazol-2-yl...) Show SMILES NC(=N)NC(=O)c1ccccc1-c1nc2ccc(cc2[nH]1)[N+]([O-])=O Show InChI InChI=1S/C15H12N6O3/c16-15(17)20-14(22)10-4-2-1-3-9(10)13-18-11-6-5-8(21(23)24)7-12(11)19-13/h1-7H,(H,18,19)(H4,16,17,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.05	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in rat platelets by Platelet swelling assay				Bioorg Med Chem Lett 17: 2430-3 (2007) Article DOI: 10.1016/j.bmcl.2007.02.035 BindingDB Entry DOI: 10.7270/Q21C1WJ1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50345917 (CHEMBL1783857 | N-(diaminomethylene)-3-(N-methylsu...) Show SMILES CNS(=O)(=O)c1cc(ccc1C(C)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)C(=O)NC(N)=N Show InChI InChI=1S/C25H36N6O6S/c1-16(19-8-6-17(24(32)29-25(26)27)14-21(19)38(33,34)28-2)31-12-10-30(11-13-31)15-18-7-9-20(35-3)23(37-5)22(18)36-4/h6-9,14,16,28H,10-13,15H2,1-5H3,(H4,26,27,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.48	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1-mediated rat platelet swelling				Bioorg Med Chem Lett 19: 3283-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.079 BindingDB Entry DOI: 10.7270/Q2BR8SJ1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50297575 (2-{[(1E)-2-(1H-1,3-benzodiazol-2-ylsulfanyl)-4,5,6...) Show SMILES COc1cc2C(=NN=C(N)N)C(Cc2c(OC)c1OC)Sc1nc2ccccc2[nH]1 |w:6.6,(.51,-14.95,;.5,-13.41,;-.83,-12.64,;-.84,-11.11,;-2.16,-10.35,;-2.48,-8.84,;-1.45,-7.7,;.06,-8.01,;1.08,-6.86,;2.59,-7.18,;.6,-5.4,;-4.01,-8.69,;-4.64,-10.09,;-3.49,-11.11,;-3.49,-12.64,;-4.83,-13.41,;-6.16,-12.64,;-2.16,-13.41,;-2.16,-14.95,;-3.5,-15.73,;-4.78,-7.36,;-6.32,-7.36,;-7.23,-6.1,;-8.71,-6.58,;-10.05,-5.82,;-11.38,-6.59,;-11.38,-8.14,;-10.05,-8.91,;-8.71,-8.14,;-7.23,-8.61,)| Show InChI InChI=1S/C20H22N6O3S/c1-27-14-8-10-11(17(28-2)18(14)29-3)9-15(16(10)25-26-19(21)22)30-20-23-12-6-4-5-7-13(12)24-20/h4-8,15H,9H2,1-3H3,(H,23,24)(H4,21,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.8	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay				Eur J Med Chem 44: 3771-6 (2009) Article DOI: 10.1016/j.ejmech.2009.04.036 BindingDB Entry DOI: 10.7270/Q2474BS7
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50207572 (CHEMBL234072 | N-[4-(5-nitro-1H-benzoimidazol-2-yl...) Show SMILES NC(=N)NC(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O Show InChI InChI=1S/C15H12N6O3/c16-15(17)20-14(22)9-3-1-8(2-4-9)13-18-11-6-5-10(21(23)24)7-12(11)19-13/h1-7H,(H,18,19)(H4,16,17,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in rat platelets by Platelet swelling assay				Bioorg Med Chem Lett 17: 2430-3 (2007) Article DOI: 10.1016/j.bmcl.2007.02.035 BindingDB Entry DOI: 10.7270/Q21C1WJ1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50345908 (CHEMBL1783849 | N-(diaminomethylene)-2-((4-(2,3,4-...) Show SMILES COc1ccc(CN2CCN(Cc3ccccc3C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C23H31N5O4/c1-30-19-9-8-17(20(31-2)21(19)32-3)15-28-12-10-27(11-13-28)14-16-6-4-5-7-18(16)22(29)26-23(24)25/h4-9H,10-15H2,1-3H3,(H4,24,25,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.1	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1-mediated rat platelet swelling				Bioorg Med Chem Lett 19: 3283-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.079 BindingDB Entry DOI: 10.7270/Q2BR8SJ1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50297576 (CHEMBL561142 | N''-[2-(1H-benzimidazol-2-ylthio)-5...) Show SMILES COc1cc2CC(Sc3nc4ccccc4[nH]3)C(=NN=C(N)N)c2cc1OC |w:18.20,(28.87,-5.3,;30.2,-4.53,;30.2,-2.98,;28.87,-2.21,;28.87,-.68,;27.73,.34,;28.35,1.74,;27.58,3.08,;26.04,3.08,;25.13,4.34,;23.65,3.85,;22.3,4.62,;20.98,3.85,;20.98,2.3,;22.31,1.53,;23.65,2.3,;25.13,1.82,;29.88,1.59,;30.91,2.74,;32.42,2.42,;33.45,3.57,;34.96,3.26,;32.97,5.04,;30.21,.08,;31.53,-.68,;31.54,-2.21,;32.87,-2.98,;32.88,-4.52,)| Show InChI InChI=1S/C19H20N6O2S/c1-26-14-7-10-8-16(28-19-22-12-5-3-4-6-13(12)23-19)17(24-25-18(20)21)11(10)9-15(14)27-2/h3-7,9,16H,8H2,1-2H3,(H,22,23)(H4,20,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay				Eur J Med Chem 44: 3771-6 (2009) Article DOI: 10.1016/j.ejmech.2009.04.036 BindingDB Entry DOI: 10.7270/Q2474BS7
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50345914 (CHEMBL1783830 | N-(diaminomethylene)-3-sulfamoyl-4...) Show SMILES COc1ccc(CN2CCN(Cc3ccc(cc3S(N)(=O)=O)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C23H32N6O6S/c1-33-18-7-6-17(20(34-2)21(18)35-3)14-29-10-8-28(9-11-29)13-16-5-4-15(22(30)27-23(24)25)12-19(16)36(26,31)32/h4-7,12H,8-11,13-14H2,1-3H3,(H2,26,31,32)(H4,24,25,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1-mediated rat platelet swelling				Bioorg Med Chem Lett 19: 3283-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.079 BindingDB Entry DOI: 10.7270/Q2BR8SJ1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50297569 (CHEMBL563763 | N''-{5-chloro-2-[(5-nitro-1H-benzim...) Show SMILES NC(N)=NN=C1C(Cc2cc(Cl)ccc12)Sc1nc2ccc(cc2[nH]1)[N+]([O-])=O |w:4.3,(6.38,-34.14,;4.87,-33.82,;4.39,-32.36,;3.84,-34.97,;2.33,-34.66,;1.3,-35.8,;-.23,-35.65,;-.86,-37.05,;.29,-38.08,;.29,-39.61,;1.62,-40.38,;1.62,-41.92,;2.95,-39.61,;2.95,-38.08,;1.63,-37.31,;-1,-34.32,;-2.54,-34.32,;-3.45,-35.58,;-4.93,-35.1,;-6.27,-35.87,;-7.6,-35.1,;-7.6,-33.55,;-6.28,-32.78,;-4.93,-33.54,;-3.46,-33.06,;-8.94,-32.78,;-8.95,-31.24,;-10.28,-33.55,)| Show InChI InChI=1S/C17H14ClN7O2S/c18-9-1-3-11-8(5-9)6-14(15(11)23-24-16(19)20)28-17-21-12-4-2-10(25(26)27)7-13(12)22-17/h1-5,7,14H,6H2,(H,21,22)(H4,19,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.2	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay				Eur J Med Chem 44: 3771-6 (2009) Article DOI: 10.1016/j.ejmech.2009.04.036 BindingDB Entry DOI: 10.7270/Q2474BS7
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115243 ((S)-N-[7-(5-fluoro-2-methylphenyl)-4-methyl-(7S)-5...) Show SMILES [#6]-c1ccc(F)cc1-[#6@H]-1-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c(-[#6])ccnc2-[#6]-1 |w:11.12| Show InChI InChI=1S/C18H20FN5/c1-10-3-4-13(19)9-14(10)12-7-15-17(11(2)5-6-22-15)16(8-12)23-24-18(20)21/h3-6,9,12H,7-8H2,1-2H3,(H4,20,21,24)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50345912 (CHEMBL1783853 | N-(diaminomethylene)-4-nitro-3-((4...) Show SMILES COc1ccc(CN2CCN(Cc3cc(ccc3[N+]([O-])=O)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C23H30N6O6/c1-33-19-7-5-16(20(34-2)21(19)35-3)13-27-8-10-28(11-9-27)14-17-12-15(22(30)26-23(24)25)4-6-18(17)29(31)32/h4-7,12H,8-11,13-14H2,1-3H3,(H4,24,25,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.2	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1-mediated rat platelet swelling				Bioorg Med Chem Lett 19: 3283-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.079 BindingDB Entry DOI: 10.7270/Q2BR8SJ1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50345916 (CHEMBL1783856 | N-(diaminomethylene)-3-(N-methylsu...) Show SMILES CNS(=O)(=O)c1cc(ccc1CN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)C(=O)NC(N)=N Show InChI InChI=1S/C24H34N6O6S/c1-27-37(32,33)20-13-16(23(31)28-24(25)26)5-6-17(20)14-29-9-11-30(12-10-29)15-18-7-8-19(34-2)22(36-4)21(18)35-3/h5-8,13,27H,9-12,14-15H2,1-4H3,(H4,25,26,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1-mediated rat platelet swelling				Bioorg Med Chem Lett 19: 3283-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.079 BindingDB Entry DOI: 10.7270/Q2BR8SJ1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50297566 (CHEMBL549925 | N''-{2-[(5-methoxy-1H-benzimidazol-...) Show SMILES COc1ccc2nc(SC3Cc4ccccc4C3=NN=C(N)N)[nH]c2c1 |w:18.20,(-10.04,-43.63,;-10.04,-45.17,;-8.71,-45.94,;-8.71,-47.48,;-7.38,-48.26,;-6.04,-47.48,;-4.56,-47.96,;-3.65,-46.71,;-2.1,-46.7,;-1.33,-48.04,;-1.96,-49.44,;-.81,-50.47,;-.81,-52,;.52,-52.77,;1.85,-51.99,;1.84,-50.46,;.52,-49.7,;.2,-48.19,;1.23,-47.04,;2.74,-47.36,;3.77,-46.21,;5.28,-46.53,;3.28,-44.75,;-4.56,-45.45,;-6.04,-45.93,;-7.38,-45.17,)| Show InChI InChI=1S/C18H18N6OS/c1-25-11-6-7-13-14(9-11)22-18(21-13)26-15-8-10-4-2-3-5-12(10)16(15)23-24-17(19)20/h2-7,9,15H,8H2,1H3,(H,21,22)(H4,19,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.8	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay				Eur J Med Chem 44: 3771-6 (2009) Article DOI: 10.1016/j.ejmech.2009.04.036 BindingDB Entry DOI: 10.7270/Q2474BS7
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115239 ((S)-N-[7-(2,5-dichloro-3-thienyl)-4-methyl-(7S)-5,...) Show SMILES [#6]-c1ccnc2-[#6]-[#6@H](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cc(Cl)sc1Cl |w:10.10| Show InChI InChI=1S/C15H15Cl2N5S/c1-7-2-3-20-10-4-8(9-6-12(16)23-14(9)17)5-11(13(7)10)21-22-15(18)19/h2-3,6,8H,4-5H2,1H3,(H4,18,19,22)/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50345913 (CHEMBL1783854 | N-(diaminomethylene)-3-nitro-4-(1-...) Show SMILES COc1ccc(CN2CCN(CC2)C(C)c2ccc(cc2[N+]([O-])=O)C(=O)NC(N)=N)c(OC)c1OC Show InChI InChI=1S/C24H32N6O6/c1-15(18-7-5-16(13-19(18)30(32)33)23(31)27-24(25)26)29-11-9-28(10-12-29)14-17-6-8-20(34-2)22(36-4)21(17)35-3/h5-8,13,15H,9-12,14H2,1-4H3,(H4,25,26,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.7	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1-mediated rat platelet swelling				Bioorg Med Chem Lett 19: 3283-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.079 BindingDB Entry DOI: 10.7270/Q2BR8SJ1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115246 (CHEMBL543867 | N-[7-(2-chloro-5-fluorophenyl)-4-me...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cc(F)ccc1Cl |w:10.10| Show InChI InChI=1S/C17H17ClFN5/c1-9-4-5-22-14-6-10(12-8-11(19)2-3-13(12)18)7-15(16(9)14)23-24-17(20)21/h2-5,8,10H,6-7H2,1H3,(H4,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115248 (CHEMBL552723 | N-[7-(3-chloro-2-thienyl)-4-methyl-...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1sccc1Cl |w:10.10| Show InChI InChI=1S/C15H16ClN5S/c1-8-2-4-19-11-6-9(14-10(16)3-5-22-14)7-12(13(8)11)20-21-15(17)18/h2-5,9H,6-7H2,1H3,(H4,17,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115271 (CHEMBL556009 | N-[7-(2,5-dichloro-3-thienyl)-4-met...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cc(Cl)sc1Cl |w:10.10| Show InChI InChI=1S/C15H15Cl2N5S/c1-7-2-3-20-10-4-8(9-6-12(16)23-14(9)17)5-11(13(7)10)21-22-15(18)19/h2-3,6,8H,4-5H2,1H3,(H4,18,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115267 (CHEMBL102546 | N-[7-(2-chlorophenyl)-4-methyl-(7S)...) Show SMILES [#6]-c1ccnc2-[#6]-[#6@H](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Cl |w:10.10| Show InChI InChI=1S/C17H18ClN5/c1-10-6-7-21-14-8-11(12-4-2-3-5-13(12)18)9-15(16(10)14)22-23-17(19)20/h2-7,11H,8-9H2,1H3,(H4,19,20,23)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50297579 (CHEMBL550335 | N''-[2-(1,3-benzothiazol-2-ylthio)-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-1-[#6](-[#6]-c2c-1cccc2Cl)-[#16]-c1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C17H14ClN5S2/c18-11-5-3-4-9-10(11)8-14(15(9)22-23-16(19)20)25-17-21-12-6-1-2-7-13(12)24-17/h1-7,14H,8H2,(H4,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay				Eur J Med Chem 44: 3771-6 (2009) Article DOI: 10.1016/j.ejmech.2009.04.036 BindingDB Entry DOI: 10.7270/Q2474BS7
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50297574 (CHEMBL557259 | N''-[2-(1H-benzimidazol-2-ylthio)-5...) Show SMILES NC(N)=NN=C1C(Cc2cc(Cl)ccc12)Sc1nc2ccccc2[nH]1 |w:4.3,(19.44,-7.93,;17.93,-7.62,;17.45,-6.15,;16.9,-8.77,;15.39,-8.45,;14.36,-9.6,;12.83,-9.44,;12.2,-10.85,;13.35,-11.87,;13.35,-13.4,;14.68,-14.17,;14.68,-15.72,;16.01,-13.4,;16.01,-11.87,;14.68,-11.11,;12.06,-8.11,;10.52,-8.11,;9.6,-6.85,;8.12,-7.34,;6.78,-6.57,;5.45,-7.34,;5.45,-8.89,;6.79,-9.66,;8.13,-8.89,;9.6,-9.37,)| Show InChI InChI=1S/C17H15ClN6S/c18-10-5-6-11-9(7-10)8-14(15(11)23-24-16(19)20)25-17-21-12-3-1-2-4-13(12)22-17/h1-7,14H,8H2,(H,21,22)(H4,19,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay				Eur J Med Chem 44: 3771-6 (2009) Article DOI: 10.1016/j.ejmech.2009.04.036 BindingDB Entry DOI: 10.7270/Q2474BS7
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115268 (CHEMBL554001 | N-[7-(2-chloro-3-thienyl)-4-methyl-...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccsc1Cl |w:10.10| Show InChI InChI=1S/C15H16ClN5S/c1-8-2-4-19-11-6-9(10-3-5-22-14(10)16)7-12(13(8)11)20-21-15(17)18/h2-5,9H,6-7H2,1H3,(H4,17,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50297564 (CHEMBL550611 | N''-{6-fluoro-2-[(5-methoxy-1H-benz...) Show SMILES COc1ccc2nc(SC3Cc4ccc(F)cc4C3=NN=C(N)N)[nH]c2c1 |w:19.21,(24.92,-44.65,;24.93,-46.19,;26.26,-46.96,;26.26,-48.51,;27.59,-49.28,;28.93,-48.51,;30.41,-48.99,;31.32,-47.73,;32.86,-47.73,;33.64,-49.06,;33.01,-50.46,;34.16,-51.49,;34.16,-53.02,;35.48,-53.79,;36.82,-53.02,;38.15,-53.78,;36.81,-51.49,;35.49,-50.72,;35.17,-49.22,;36.2,-48.07,;37.7,-48.38,;38.73,-47.23,;40.24,-47.55,;38.25,-45.77,;30.41,-46.47,;28.93,-46.95,;27.59,-46.19,)| Show InChI InChI=1S/C18H17FN6OS/c1-26-11-4-5-13-14(8-11)23-18(22-13)27-15-6-9-2-3-10(19)7-12(9)16(15)24-25-17(20)21/h2-5,7-8,15H,6H2,1H3,(H,22,23)(H4,20,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay				Eur J Med Chem 44: 3771-6 (2009) Article DOI: 10.1016/j.ejmech.2009.04.036 BindingDB Entry DOI: 10.7270/Q2474BS7
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115238 (CHEMBL552865 | N-[7-(2-chlorophenyl)-4-methyl-5,6,...) Show SMILES [#6]-c1cnnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Cl |w:10.10| Show InChI InChI=1S/C16H17ClN6/c1-9-8-20-21-13-6-10(11-4-2-3-5-12(11)17)7-14(15(9)13)22-23-16(18)19/h2-5,8,10H,6-7H2,1H3,(H4,18,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50207574 (CHEMBL233048 | N-{3-(morpholine-4-sulfonyl)-4-[4-(...) Show SMILES NC(=N)NC(=O)c1ccc(CSc2ccc(cc2)-c2nc3ccc(cc3[nH]2)[N+]([O-])=O)c(c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C26H25N7O6S2/c27-26(28)31-25(34)17-1-2-18(23(13-17)41(37,38)32-9-11-39-12-10-32)15-40-20-6-3-16(4-7-20)24-29-21-8-5-19(33(35)36)14-22(21)30-24/h1-8,13-14H,9-12,15H2,(H,29,30)(H4,27,28,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27.1	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in rat platelets by Platelet swelling assay				Bioorg Med Chem Lett 17: 2430-3 (2007) Article DOI: 10.1016/j.bmcl.2007.02.035 BindingDB Entry DOI: 10.7270/Q21C1WJ1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50207579 (CHEMBL232838 | N-{3-methanesulfonyl-4-[4-(5-nitro-...) Show SMILES CS(=O)(=O)c1cc(ccc1CSc1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O)C(=O)NC(N)=N Show InChI InChI=1S/C23H20N6O5S2/c1-36(33,34)20-10-14(22(30)28-23(24)25)2-3-15(20)12-35-17-7-4-13(5-8-17)21-26-18-9-6-16(29(31)32)11-19(18)27-21/h2-11H,12H2,1H3,(H,26,27)(H4,24,25,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27.8	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in rat platelets by Platelet swelling assay				Bioorg Med Chem Lett 17: 2430-3 (2007) Article DOI: 10.1016/j.bmcl.2007.02.035 BindingDB Entry DOI: 10.7270/Q21C1WJ1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115245 (CHEMBL554215 | N-[4-methyl-7-(3-thienyl)-5,6,7,8-t...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccsc1 |w:10.10| Show InChI InChI=1S/C15H17N5S/c1-9-2-4-18-12-6-11(10-3-5-21-8-10)7-13(14(9)12)19-20-15(16)17/h2-5,8,11H,6-7H2,1H3,(H4,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair

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