Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50033878   

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)	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)	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)	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)	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)	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	30.7	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)	BDBM50353095 (CHEMBL1829130) Show SMILES CCc1ccc(cc1)C(=O)Nc1cc(ccc1OCCCN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)C(=O)NC(N)=N Show InChI InChI=1S/C34H44N6O6/c1-5-23-7-9-24(10-8-23)32(41)37-27-21-25(33(42)38-34(35)36)11-13-28(27)46-20-6-15-39-16-18-40(19-17-39)22-26-12-14-29(43-2)31(45-4)30(26)44-3/h7-14,21H,5-6,15-20,22H2,1-4H3,(H,37,41)(H4,35,36,38,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49.3	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 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)	BDBM50353118 (CHEMBL1829136) Show SMILES COc1ccc(CN2CCN(CCCOc3ccc(cc3NC(=O)c3ccc(Cl)cc3Cl)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C32H38Cl2N6O6/c1-43-27-10-6-21(28(44-2)29(27)45-3)19-40-14-12-39(13-15-40)11-4-16-46-26-9-5-20(30(41)38-32(35)36)17-25(26)37-31(42)23-8-7-22(33)18-24(23)34/h5-10,17-18H,4,11-16,19H2,1-3H3,(H,37,42)(H4,35,36,38,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55.7	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)	BDBM50353107 (CHEMBL1829119) Show SMILES CCc1ccc(cc1)C(=O)Nc1cc(ccc1OCCN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)C(=O)NC(N)=N Show InChI InChI=1S/C33H42N6O6/c1-5-22-6-8-23(9-7-22)31(40)36-26-20-24(32(41)37-33(34)35)10-12-27(26)45-19-18-38-14-16-39(17-15-38)21-25-11-13-28(42-2)30(44-4)29(25)43-3/h6-13,20H,5,14-19,21H2,1-4H3,(H,36,40)(H4,34,35,37,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93.5	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)	BDBM50353112 (CHEMBL1829124) Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3NC(=O)c3ccc(Cl)cc3)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C31H37ClN6O6/c1-41-26-11-7-22(27(42-2)28(26)43-3)19-38-14-12-37(13-15-38)16-17-44-25-10-6-21(30(40)36-31(33)34)18-24(25)35-29(39)20-4-8-23(32)9-5-20/h4-11,18H,12-17,19H2,1-3H3,(H,35,39)(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	125	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)	BDBM50353117 (CHEMBL1829129) Show SMILES COc1ccc(CN2CCN(CCCOc3ccc(cc3NC(=O)c3ccccc3)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C32H40N6O6/c1-41-27-13-11-24(28(42-2)29(27)43-3)21-38-17-15-37(16-18-38)14-7-19-44-26-12-10-23(31(40)36-32(33)34)20-25(26)35-30(39)22-8-5-4-6-9-22/h4-6,8-13,20H,7,14-19,21H2,1-3H3,(H,35,39)(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	139	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)	BDBM50353109 (CHEMBL1829121) Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3NC(=O)c3ccc(cc3)C#N)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C32H37N7O6/c1-42-27-11-9-24(28(43-2)29(27)44-3)20-39-14-12-38(13-15-39)16-17-45-26-10-8-23(31(41)37-32(34)35)18-25(26)36-30(40)22-6-4-21(19-33)5-7-22/h4-11,18H,12-17,20H2,1-3H3,(H,36,40)(H4,34,35,37,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	142	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)	BDBM50353106 (CHEMBL1829118) Show SMILES COc1ccc(CN2CCN(CCOc3ccc(cc3NC(=O)c3cccc(C)c3)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C32H40N6O6/c1-21-6-5-7-22(18-21)30(39)35-25-19-23(31(40)36-32(33)34)8-10-26(25)44-17-16-37-12-14-38(15-13-37)20-24-9-11-27(41-2)29(43-4)28(24)42-3/h5-11,18-19H,12-17,20H2,1-4H3,(H,35,39)(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	154	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)	BDBM50353096 (CHEMBL1829131) Show SMILES COc1ccc(cc1)C(=O)Nc1cc(ccc1OCCCN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)C(=O)NC(N)=N Show InChI InChI=1S/C33H42N6O7/c1-42-25-10-6-22(7-11-25)31(40)36-26-20-23(32(41)37-33(34)35)8-12-27(26)46-19-5-14-38-15-17-39(18-16-38)21-24-9-13-28(43-2)30(45-4)29(24)44-3/h6-13,20H,5,14-19,21H2,1-4H3,(H,36,40)(H4,34,35,37,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	225	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)	BDBM50353100 (CHEMBL1829135) Show SMILES COc1ccc(CN2CCN(CCCOc3ccc(cc3NC(=O)c3c(Cl)cccc3Cl)C(=O)NC(N)=N)CC2)c(OC)c1OC Show InChI InChI=1S/C32H38Cl2N6O6/c1-43-26-11-9-21(28(44-2)29(26)45-3)19-40-15-13-39(14-16-40)12-5-17-46-25-10-8-20(30(41)38-32(35)36)18-24(25)37-31(42)27-22(33)6-4-7-23(27)34/h4,6-11,18H,5,12-17,19H2,1-3H3,(H,37,42)(H4,35,36,38,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+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 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)	BDBM50353108 (CHEMBL1829120) Show SMILES COc1ccc(cc1)C(=O)Nc1cc(ccc1OCCN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)C(=O)NC(N)=N Show InChI InChI=1S/C32H40N6O7/c1-41-24-9-5-21(6-10-24)30(39)35-25-19-22(31(40)36-32(33)34)7-11-26(25)45-18-17-37-13-15-38(16-14-37)20-23-8-12-27(42-2)29(44-4)28(23)43-3/h5-12,19H,13-18,20H2,1-4H3,(H,35,39)(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	3.02E+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 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