Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'hua' and Initial = 'wy'   

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
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)	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)	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)	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)	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
Type-1 angiotensin II receptor (Bos taurus)	BDBM50209823 (3-(4-(2-(1H-tetrazol-5-yl)-1H-pyrrol-1-yl)benzyl)-...) Show SMILES CCCCc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-n1cccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H23N7O2/c1-2-3-9-21-25-19-7-4-6-18(24(32)33)22(19)31(21)15-16-10-12-17(13-11-16)30-14-5-8-20(30)23-26-28-29-27-23/h4-8,10-14H,2-3,9,15H2,1H3,(H,32,33)(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor				Bioorg Med Chem Lett 17: 2921-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.042 BindingDB Entry DOI: 10.7270/Q2C82908
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50209824 (CHEMBL245444 | methyl 3-(4-(2-(1H-tetrazol-5-yl)-1...) Show SMILES CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(cc1)-n1cccc1-c1nnn[nH]1 Show InChI InChI=1S/C25H25N7O2/c1-3-4-10-22-26-20-8-5-7-19(25(33)34-2)23(20)32(22)16-17-11-13-18(14-12-17)31-15-6-9-21(31)24-27-29-30-28-24/h5-9,11-15H,3-4,10,16H2,1-2H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor				Bioorg Med Chem Lett 17: 2921-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.042 BindingDB Entry DOI: 10.7270/Q2C82908
					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)	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)	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
Type-1 angiotensin II receptor (Bos taurus)	BDBM50209827 (3-(4-(2-(1H-tetrazol-5-yl)-1H-pyrrol-1-yl)benzyl)-...) Show SMILES CCCc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-n1cccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H21N7O2/c1-2-5-20-24-18-7-3-6-17(23(31)32)21(18)30(20)14-15-9-11-16(12-10-15)29-13-4-8-19(29)22-25-27-28-26-22/h3-4,6-13H,2,5,14H2,1H3,(H,31,32)(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor				Bioorg Med Chem Lett 17: 2921-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.042 BindingDB Entry DOI: 10.7270/Q2C82908
					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
Type-1 angiotensin II receptor (Bos taurus)	BDBM50209832 (CHEMBL241685 | ethyl 3-(4-(2-(1H-tetrazol-5-yl)-1H...) Show SMILES CCCCc1nc2cccc(C(=O)OCC)c2n1Cc1ccc(cc1)-n1cccc1-c1nnn[nH]1 Show InChI InChI=1S/C26H27N7O2/c1-3-5-11-23-27-21-9-6-8-20(26(34)35-4-2)24(21)33(23)17-18-12-14-19(15-13-18)32-16-7-10-22(32)25-28-30-31-29-25/h6-10,12-16H,3-5,11,17H2,1-2H3,(H,28,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor				Bioorg Med Chem Lett 17: 2921-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.042 BindingDB Entry DOI: 10.7270/Q2C82908
					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)	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)	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)	BDBM50297570 (2-{[(1E)-4,5,6-trimethoxy-2-[(5-nitro-1H-1,3-benzo...) Show SMILES COc1cc2C(=NN=C(N)N)C(Cc2c(OC)c1OC)Sc1nc2ccc(cc2[nH]1)[N+]([O-])=O |w:6.6,(35.21,-29.4,;35.21,-27.86,;33.87,-27.09,;33.86,-25.56,;32.54,-24.8,;32.22,-23.3,;33.25,-22.15,;34.76,-22.46,;35.78,-21.32,;37.29,-21.63,;35.3,-19.85,;30.69,-23.14,;30.06,-24.54,;31.21,-25.57,;31.21,-27.1,;29.88,-27.86,;28.54,-27.09,;32.54,-27.86,;32.54,-29.4,;31.2,-30.18,;29.92,-21.81,;28.38,-21.81,;27.47,-23.07,;25.99,-22.59,;24.65,-23.36,;23.32,-22.59,;23.32,-21.04,;24.65,-20.27,;25.99,-21.04,;27.47,-20.55,;21.98,-20.28,;21.98,-18.74,;20.65,-21.05,)| Show InChI InChI=1S/C20H21N7O5S/c1-30-14-7-10-11(17(31-2)18(14)32-3)8-15(16(10)25-26-19(21)22)33-20-23-12-5-4-9(27(28)29)6-13(12)24-20/h4-7,15H,8H2,1-3H3,(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	31.5	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
Type-1 angiotensin II receptor (Bos taurus)	BDBM50209833 (CHEMBL245644 | methyl 3-(4-(2-(1H-tetrazol-5-yl)-1...) Show SMILES CCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(cc1)-n1cccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H23N7O2/c1-3-6-21-25-19-8-4-7-18(24(32)33-2)22(19)31(21)15-16-10-12-17(13-11-16)30-14-5-9-20(30)23-26-28-29-27-23/h4-5,7-14H,3,6,15H2,1-2H3,(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor				Bioorg Med Chem Lett 17: 2921-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.042 BindingDB Entry DOI: 10.7270/Q2C82908
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50209826 (3-(4-(2-carboxy-1H-pyrrol-1-yl)benzyl)-2-butyl-3H-...) Show SMILES CCCCc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-n1cccc1C(O)=O Show InChI InChI=1S/C24H23N3O4/c1-2-3-9-21-25-19-7-4-6-18(23(28)29)22(19)27(21)15-16-10-12-17(13-11-16)26-14-5-8-20(26)24(30)31/h4-8,10-14H,2-3,9,15H2,1H3,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor				Bioorg Med Chem Lett 17: 2921-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.042 BindingDB Entry DOI: 10.7270/Q2C82908
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50297581 (CHEMBL561948 | N''-[2-(1,3-benzothiazol-2-ylthio)-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-1-[#6](-[#6]-c2ccc(Cl)cc-12)-[#16]-c1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C17H14ClN5S2/c18-10-6-5-9-7-14(15(11(9)8-10)22-23-16(19)20)25-17-21-12-3-1-2-4-13(12)24-17/h1-6,8,14H,7H2,(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	34.6	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)	BDBM50297567 (CHEMBL561747 | N''-{6-fluoro-2-[(5-nitro-1H-benzim...) Show SMILES NC(N)=NN=C1C(Cc2ccc(F)cc12)Sc1nc2ccc(cc2[nH]1)[N+]([O-])=O |w:4.3,(38.61,-36.24,;37.1,-35.92,;36.62,-34.46,;36.07,-37.07,;34.56,-36.76,;33.53,-37.9,;32,-37.75,;31.37,-39.15,;32.52,-40.18,;32.52,-41.71,;33.85,-42.48,;35.18,-41.7,;36.52,-42.47,;35.18,-40.17,;33.86,-39.41,;31.23,-36.42,;29.69,-36.42,;28.78,-37.67,;27.3,-37.2,;25.96,-37.97,;24.63,-37.2,;24.63,-35.65,;25.95,-34.88,;27.3,-35.64,;28.78,-35.16,;23.29,-34.88,;23.28,-33.34,;21.95,-35.65,)| Show InChI InChI=1S/C17H14FN7O2S/c18-9-2-1-8-5-14(15(11(8)6-9)23-24-16(19)20)28-17-21-12-4-3-10(25(26)27)7-13(12)22-17/h1-4,6-7,14H,5H2,(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	38	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)	BDBM50297568 (CHEMBL550204 | N''-{6-chloro-2-[(5-nitro-1H-benzim...) Show SMILES NC(N)=NN=C1C(Cc2ccc(Cl)cc12)Sc1nc2ccc(cc2[nH]1)[N+]([O-])=O |w:4.3,(20.83,-38.27,;19.32,-37.96,;18.84,-36.49,;18.29,-39.11,;16.78,-38.79,;15.76,-39.94,;14.23,-39.79,;13.6,-41.19,;14.75,-42.21,;14.74,-43.74,;16.07,-44.51,;17.41,-43.74,;18.74,-44.51,;17.4,-42.21,;16.08,-41.45,;13.45,-38.45,;11.91,-38.45,;11,-39.71,;9.52,-39.23,;8.18,-40,;6.85,-39.23,;6.85,-37.68,;8.18,-36.91,;9.52,-37.68,;11,-37.19,;5.51,-36.92,;5.51,-35.37,;4.17,-37.69,)| Show InChI InChI=1S/C17H14ClN7O2S/c18-9-2-1-8-5-14(15(11(8)6-9)23-24-16(19)20)28-17-21-12-4-3-10(25(26)27)7-13(12)22-17/h1-4,6-7,14H,5H2,(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	38.9	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)	BDBM50207570 (5-guanidinocarbonyl-2-[4-(5-nitro-1H-benzoimidazol...) Show SMILES NC(=N)NC(=O)c1ccc(CSc2ccc(cc2)-c2nc3ccc(cc3[nH]2)[N+]([O-])=O)c(c1)S(N)(=O)=O Show InChI InChI=1S/C22H19N7O5S2/c23-22(24)28-21(30)13-1-2-14(19(9-13)36(25,33)34)11-35-16-6-3-12(4-7-16)20-26-17-8-5-15(29(31)32)10-18(17)27-20/h1-10H,11H2,(H,26,27)(H2,25,33,34)(H4,23,24,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40.2	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NHE1 in 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
Type-1 angiotensin II receptor (Bos taurus)	BDBM50209825 (CHEMBL440051 | ethyl 3-(4-(2-(1H-tetrazol-5-yl)-1H...) Show SMILES CCCc1nc2cccc(C(=O)OCC)c2n1Cc1ccc(cc1)-n1cccc1-c1nnn[nH]1 Show InChI InChI=1S/C25H25N7O2/c1-3-7-22-26-20-9-5-8-19(25(33)34-4-2)23(20)32(22)16-17-11-13-18(14-12-17)31-15-6-10-21(31)24-27-29-30-28-24/h5-6,8-15H,3-4,7,16H2,1-2H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor				Bioorg Med Chem Lett 17: 2921-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.042 BindingDB Entry DOI: 10.7270/Q2C82908
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50058759 (CHEMBL436559 | CHEMBL462831 | Cariporide | N-(4-Is...) Show SMILES CC(C)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N Show InChI InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	65	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)	BDBM50058759 (CHEMBL436559 | CHEMBL462831 | Cariporide | N-(4-Is...) Show SMILES CC(C)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N Show InChI InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	65	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)	BDBM50207585 (2-[4-(1H-benzoimidazol-2-yl)-phenylsulfanylmethyl]...) Show SMILES NC(=N)NC(=O)c1ccc(CSc2ccc(cc2)-c2nc3ccccc3[nH]2)c(c1)S(N)(=O)=O Show InChI InChI=1S/C22H20N6O3S2/c23-22(24)28-21(29)14-5-6-15(19(11-14)33(25,30)31)12-32-16-9-7-13(8-10-16)20-26-17-3-1-2-4-18(17)27-20/h1-11H,12H2,(H,26,27)(H2,25,30,31)(H4,23,24,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	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
Type-1 angiotensin II receptor (Bos taurus)	BDBM50209831 (3-(4-(2-carboxy-1H-pyrrol-1-yl)benzyl)-2-propyl-3H...) Show SMILES CCCc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-n1cccc1C(O)=O Show InChI InChI=1S/C23H21N3O4/c1-2-5-20-24-18-7-3-6-17(22(27)28)21(18)26(20)14-15-9-11-16(12-10-15)25-13-4-8-19(25)23(29)30/h3-4,6-13H,2,5,14H2,1H3,(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor				Bioorg Med Chem Lett 17: 2921-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.042 BindingDB Entry DOI: 10.7270/Q2C82908
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50009714 (CHEMBL191 | {2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5...) Show SMILES CCCCC1=NC(Cl)C(CO)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C22H25ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,19,21,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor				Bioorg Med Chem Lett 17: 2921-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.042 BindingDB Entry DOI: 10.7270/Q2C82908
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50209821 (CHEMBL241684 | methyl 3-(4-(2-(1H-tetrazol-5-yl)-1...) Show SMILES CCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(cc1)-n1cccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H21N7O2/c1-3-20-24-18-7-4-6-17(23(31)32-2)21(18)30(20)14-15-9-11-16(12-10-15)29-13-5-8-19(29)22-25-27-28-26-22/h4-13H,3,14H2,1-2H3,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor				Bioorg Med Chem Lett 17: 2921-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.042 BindingDB Entry DOI: 10.7270/Q2C82908
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50207576 (CHEMBL232836 | N-{3-bromo-4-[4-(5-nitro-1H-benzoim...) Show SMILES NC(=N)NC(=O)c1ccc(CSc2ccc(cc2)-c2nc3ccc(cc3[nH]2)[N+]([O-])=O)c(Br)c1 Show InChI InChI=1S/C22H17BrN6O3S/c23-17-9-13(21(30)28-22(24)25)1-2-14(17)11-33-16-6-3-12(4-7-16)20-26-18-8-5-15(29(31)32)10-19(18)27-20/h1-10H,11H2,(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	147	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
Type-1 angiotensin II receptor (Bos taurus)	BDBM50209828 (3-(4-(2-carboxy-1H-pyrrol-1-yl)benzyl)-2-ethyl-3H-...) Show SMILES CCc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-n1cccc1C(O)=O Show InChI InChI=1S/C22H19N3O4/c1-2-19-23-17-6-3-5-16(21(26)27)20(17)25(19)13-14-8-10-15(11-9-14)24-12-4-7-18(24)22(28)29/h3-12H,2,13H2,1H3,(H,26,27)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor				Bioorg Med Chem Lett 17: 2921-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.042 BindingDB Entry DOI: 10.7270/Q2C82908
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50209830 (CHEMBL392118 | methyl 3-(4-(2-(1H-tetrazol-5-yl)-1...) Show SMILES COC(=O)c1cccc2nc(C)n(Cc3ccc(cc3)-n3cccc3-c3nnn[nH]3)c12 Show InChI InChI=1S/C22H19N7O2/c1-14-23-18-6-3-5-17(22(30)31-2)20(18)29(14)13-15-8-10-16(11-9-15)28-12-4-7-19(28)21-24-26-27-25-21/h3-12H,13H2,1-2H3,(H,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor				Bioorg Med Chem Lett 17: 2921-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.042 BindingDB Entry DOI: 10.7270/Q2C82908
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Bos taurus)	BDBM50209822 (3-(4-(2-carboxy-1H-pyrrol-1-yl)benzyl)-2-methyl-3H...) Show SMILES Cc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-n1cccc1C(O)=O Show InChI InChI=1S/C21H17N3O4/c1-13-22-17-5-2-4-16(20(25)26)19(17)24(13)12-14-7-9-15(10-8-14)23-11-3-6-18(23)21(27)28/h2-11H,12H2,1H3,(H,25,26)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor				Bioorg Med Chem Lett 17: 2921-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.042 BindingDB Entry DOI: 10.7270/Q2C82908
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50207569 (CHEMBL434958 | N-[4-(1-methyl-1H-benzoimidazol-2-y...) Show SMILES Cn1c(nc2ccccc12)-c1ccc(cc1)C(=O)NC(N)=N Show InChI InChI=1S/C16H15N5O/c1-21-13-5-3-2-4-12(13)19-14(21)10-6-8-11(9-7-10)15(22)20-16(17)18/h2-9H,1H3,(H4,17,18,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	264	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)	BDBM50207575 (CHEMBL446189 | N-[3-(1-methyl-1H-benzoimidazol-2-y...) Show SMILES Cn1c(nc2ccccc12)-c1cccc(c1)C(=O)NC(N)=N Show InChI InChI=1S/C16H15N5O/c1-21-13-8-3-2-7-12(13)19-14(21)10-5-4-6-11(9-10)15(22)20-16(17)18/h2-9H,1H3,(H4,17,18,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	267	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)	BDBM50297582 (CHEMBL562633 | N''-[2-(1,3-benzothiazol-2-ylthio)-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-1-[#6](-[#6]-c2ccc(F)cc-12)-[#16]-c1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C17H14FN5S2/c18-10-6-5-9-7-14(15(11(9)8-10)22-23-16(19)20)25-17-21-12-3-1-2-4-13(12)24-17/h1-6,8,14H,7H2,(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	287	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)	BDBM50207577 (CHEMBL233863 | N-[2-(1H-benzoimidazol-2-yl)-benzoy...) Show SMILES NC(=N)NC(=O)c1ccccc1-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C15H13N5O/c16-15(17)20-14(21)10-6-2-1-5-9(10)13-18-11-7-3-4-8-12(11)19-13/h1-8H,(H,18,19)(H4,16,17,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	295	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)	BDBM50297573 (CHEMBL550266 | N''-[2-(1H-benzimidazol-2-ylthio)-6...) Show SMILES NC(N)=NN=C1C(Cc2ccc(Cl)cc12)Sc1nc2ccccc2[nH]1 |w:4.3,(35.99,-10.56,;34.48,-10.25,;34,-8.78,;33.45,-11.4,;31.94,-11.08,;30.91,-12.23,;29.38,-12.07,;28.75,-13.48,;29.9,-14.5,;29.9,-16.03,;31.23,-16.8,;32.56,-16.03,;33.9,-16.8,;32.56,-14.5,;31.23,-13.74,;28.61,-10.74,;27.07,-10.74,;26.15,-9.48,;24.68,-9.96,;23.33,-9.2,;22.01,-9.97,;22,-11.52,;23.34,-12.29,;24.68,-11.52,;26.16,-12,)| Show InChI InChI=1S/C17H15ClN6S/c18-10-6-5-9-7-14(15(11(9)8-10)23-24-16(19)20)25-17-21-12-3-1-2-4-13(12)22-17/h1-6,8,14H,7H2,(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	326	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)	BDBM50207571 (CHEMBL232443 | N-{4-[4-(5-nitro-1H-benzoimidazol-2...) Show SMILES NC(=N)NC(=O)c1ccc(CSc2ccc(cc2)-c2nc3ccc(cc3[nH]2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C22H18N6O3S/c23-22(24)27-21(29)15-3-1-13(2-4-15)12-32-17-8-5-14(6-9-17)20-25-18-10-7-16(28(30)31)11-19(18)26-20/h1-11H,12H2,(H,25,26)(H4,23,24,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	332	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)	BDBM50297572 (CHEMBL559690 | N''-[2-(1H-benzimidazol-2-ylthio)-4...) Show SMILES NC(N)=NN=C1C(Cc2c1cc(Cl)cc2Cl)Sc1nc2ccccc2[nH]1 |w:4.3,(2.15,-20.28,;.64,-19.97,;.16,-18.5,;-.39,-21.12,;-1.9,-20.8,;-2.93,-21.95,;-4.46,-21.8,;-5.09,-23.2,;-3.94,-24.22,;-2.61,-23.46,;-1.28,-24.22,;-1.28,-25.75,;.06,-26.52,;-2.61,-26.52,;-3.94,-25.75,;-5.28,-26.52,;-5.23,-20.46,;-6.77,-20.46,;-7.69,-19.21,;-9.16,-19.69,;-10.51,-18.92,;-11.83,-19.69,;-11.84,-21.24,;-10.5,-22.01,;-9.16,-21.24,;-7.68,-21.72,)| Show InChI InChI=1S/C17H14Cl2N6S/c18-8-5-10-9(11(19)6-8)7-14(15(10)24-25-16(20)21)26-17-22-12-3-1-2-4-13(12)23-17/h1-6,14H,7H2,(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	654	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)	BDBM50207581 (CHEMBL389307 | N-[2-(1-methyl-1H-benzoimidazol-2-y...) Show SMILES Cn1c(nc2ccccc12)-c1ccccc1C(=O)NC(N)=N Show InChI InChI=1S/C16H15N5O/c1-21-13-9-5-4-8-12(13)19-14(21)10-6-2-3-7-11(10)15(22)20-16(17)18/h2-9H,1H3,(H4,17,18,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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 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

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