Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'yost' and Initial = 'kj'   

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 (Homo sapiens (Human))	BDBM50104843 (CHEMBL419578 | N-[3-(3-Bromo-4-fluoro-phenyl)-2,2-...) Show SMILES CC1(C)[C@@H]([C@H]1c1ccc(F)c(Br)c1)C(=O)NC(N)=N Show InChI InChI=1S/C13H15BrFN3O/c1-13(2)9(10(13)11(19)18-12(16)17)6-3-4-8(15)7(14)5-6/h3-5,9-10H,1-2H3,(H4,16,17,18,19)/t9-,10+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104846 (CHEMBL113443 | N-[3-(2,5-Dichloro-phenyl)-2,2-dime...) Show SMILES CC1(C)[C@@H]([C@H]1c1cc(Cl)ccc1Cl)C(=O)NC(N)=N Show InChI InChI=1S/C13H15Cl2N3O/c1-13(2)9(10(13)11(19)18-12(16)17)7-5-6(14)3-4-8(7)15/h3-5,9-10H,1-2H3,(H4,16,17,18,19)/t9-,10+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104848 (CHEMBL112903 | N-[3-(3-Ethyl-4-fluoro-phenyl)-2,2-...) Show SMILES CCc1cc(ccc1F)[C@@H]1[C@@H](C(=O)NC(N)=N)C1(C)C Show InChI InChI=1S/C15H20FN3O/c1-4-8-7-9(5-6-10(8)16)11-12(15(11,2)3)13(20)19-14(17)18/h5-7,11-12H,4H2,1-3H3,(H4,17,18,19,20)/t11-,12+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104856 (CHEMBL51363 | N-[(1R,3S)-3-(3,5-Dichloro-phenyl)-2...) Show SMILES CC1(C)[C@@H]([C@H]1c1cc(Cl)cc(Cl)c1)C(=O)NC(N)=N Show InChI InChI=1S/C13H15Cl2N3O/c1-13(2)9(10(13)11(19)18-12(16)17)6-3-7(14)5-8(15)4-6/h3-5,9-10H,1-2H3,(H4,16,17,18,19)/t9-,10+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104844 (BMS-284640 | CHEMBL51879 | N-[(1R,3R)-3-(2,3-Dihyd...) Show SMILES CC1(C)[C@@H]([C@H]1c1cccc2OCCc12)C(=O)NC(N)=N Show InChI InChI=1S/C15H19N3O2/c1-15(2)11(12(15)13(19)18-14(16)17)9-4-3-5-10-8(9)6-7-20-10/h3-5,11-12H,6-7H2,1-2H3,(H4,16,17,18,19)/t11-,12+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104852 (CHEMBL321198 | N-[3-(3-Methoxy-phenyl)-2,2-dimethy...) Show SMILES COc1cccc(c1)[C@@H]1[C@@H](C(=O)NC(N)=N)C1(C)C Show InChI InChI=1S/C14H19N3O2/c1-14(2)10(11(14)12(18)17-13(15)16)8-5-4-6-9(7-8)19-3/h4-7,10-11H,1-3H3,(H4,15,16,17,18)/t10-,11+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104842 (CHEMBL297962 | N-[(1R,3S)-3-(3-Chloro-phenyl)-2,2-...) Show SMILES CC1(C)[C@@H]([C@H]1c1cccc(Cl)c1)C(=O)NC(N)=N Show InChI InChI=1S/C13H16ClN3O/c1-13(2)9(7-4-3-5-8(14)6-7)10(13)11(18)17-12(15)16/h3-6,9-10H,1-2H3,(H4,15,16,17,18)/t9-,10+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104862 (CHEMBL110637 | N-[3-(4-Fluoro-3-isopropyl-phenyl)-...) Show SMILES CC(C)c1cc(ccc1F)[C@@H]1[C@@H](C(=O)NC(N)=N)C1(C)C Show InChI InChI=1S/C16H22FN3O/c1-8(2)10-7-9(5-6-11(10)17)12-13(16(12,3)4)14(21)20-15(18)19/h5-8,12-13H,1-4H3,(H4,18,19,20,21)/t12-,13+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404297 (CHEMBL269080) Show SMILES Clc1ccc(NC(=S)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C18H13Cl4N3OS/c19-11-1-3-13(14(21)7-11)17(9-25-6-5-23-10-25)26-18(27)24-16-4-2-12(20)8-15(16)22/h1-8,10,17H,9H2,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104855 (CHEMBL109362 | N-[3-(4-Fluoro-3-methyl-phenyl)-2,2...) Show SMILES Cc1cc(ccc1F)[C@@H]1[C@@H](C(=O)NC(N)=N)C1(C)C Show InChI InChI=1S/C14H18FN3O/c1-7-6-8(4-5-9(7)15)10-11(14(10,2)3)12(19)18-13(16)17/h4-6,10-11H,1-3H3,(H4,16,17,18,19)/t10-,11+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404288 (CHEMBL269369) Show SMILES OC(C(Nc1ccc(Cl)cc1)=NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1cccc(c1)C#N |w:11.12| Show InChI InChI=1S/C26H20Cl3N5O/c27-19-4-7-21(8-5-19)32-26(25(35)18-3-1-2-17(12-18)14-30)33-24(15-34-11-10-31-16-34)22-9-6-20(28)13-23(22)29/h1-13,16,24-25,35H,15H2,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0-ATP synthase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404288 (CHEMBL269369) Show SMILES OC(C(Nc1ccc(Cl)cc1)=NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1cccc(c1)C#N |w:11.12| Show InChI InChI=1S/C26H20Cl3N5O/c27-19-4-7-21(8-5-19)32-26(25(35)18-3-1-2-17(12-18)14-30)33-24(15-34-11-10-31-16-34)22-9-6-20(28)13-23(22)29/h1-13,16,24-25,35H,15H2,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104853 (CHEMBL110578 | N-[2-(2,5-Dichloro-phenyl)-cyclopro...) Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)ccc1Cl Show InChI InChI=1S/C11H11Cl2N3O/c12-5-1-2-9(13)7(3-5)6-4-8(6)10(17)16-11(14)15/h1-3,6,8H,4H2,(H4,14,15,16,17)/t6-,8+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104860 (CHEMBL113620 | N-(2,2-Dimethyl-3-phenyl-cyclopropa...) Show SMILES CC1(C)[C@@H]([C@H]1c1ccccc1)C(=O)NC(N)=N Show InChI InChI=1S/C13H17N3O/c1-13(2)9(8-6-4-3-5-7-8)10(13)11(17)16-12(14)15/h3-7,9-10H,1-2H3,(H4,14,15,16,17)/t9-,10+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404293 (CHEMBL8024) Show SMILES OC(C(Nc1ccc(Cl)cc1)=NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C25H20Cl4N4O/c26-17-3-1-16(2-4-17)24(34)25(31-20-8-5-18(27)6-9-20)32-23(14-33-12-11-30-15-33)21-10-7-19(28)13-22(21)29/h1-13,15,23-24,34H,14H2,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104863 (CHEMBL112899 | N-[2-(3-Bromo-4-fluoro-phenyl)-cycl...) Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(Br)c1 Show InChI InChI=1S/C11H11BrFN3O/c12-8-3-5(1-2-9(8)13)6-4-7(6)10(17)16-11(14)15/h1-3,6-7H,4H2,(H4,14,15,16,17)/t6-,7+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104854 (CHEMBL114393 | N-[2-(2,3-Dihydro-benzofuran-4-yl)-...) Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1cccc2OCCc12 Show InChI InChI=1S/C13H15N3O2/c14-13(15)16-12(17)10-6-9(10)7-2-1-3-11-8(7)4-5-18-11/h1-3,9-10H,4-6H2,(H4,14,15,16,17)/t9-,10+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404286 (CHEMBL7982) Show SMILES Cc1ccc(NC(=S)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(C)c1 Show InChI InChI=1S/C20H19Cl2N3OS/c1-13-3-6-18(14(2)9-13)24-20(27)26-19(11-25-8-7-23-12-25)16-5-4-15(21)10-17(16)22/h3-10,12,19H,11H2,1-2H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0-ATP synthase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404287 (CHEMBL8116) Show SMILES OC(C(Nc1ccc(Cl)cc1)=NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C#N |w:11.12| Show InChI InChI=1S/C26H20Cl3N5O/c27-19-5-8-21(9-6-19)32-26(25(35)18-3-1-17(14-30)2-4-18)33-24(15-34-12-11-31-16-34)22-10-7-20(28)13-23(22)29/h1-13,16,24-25,35H,15H2,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0-ATP synthase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104861 (CHEMBL331141 | N-[2-(3-Chloro-phenyl)-cyclopropane...) Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 Show InChI InChI=1S/C11H12ClN3O/c12-7-3-1-2-6(4-7)8-5-9(8)10(16)15-11(13)14/h1-4,8-9H,5H2,(H4,13,14,15,16)/t8-,9+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50058715 (CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...) Show SMILES Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)-n1cccc1 Show InChI InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404289 (CHEMBL8376) Show SMILES Clc1ccc(NC(=S)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C18H14Cl3N3OS/c19-12-1-4-14(5-2-12)23-18(26)25-17(10-24-8-7-22-11-24)15-6-3-13(20)9-16(15)21/h1-9,11,17H,10H2,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104851 (CHEMBL114342 | N-[2-(3-Methoxy-phenyl)-cyclopropan...) Show SMILES COc1cccc(c1)[C@H]1C[C@@H]1C(=O)NC(N)=N Show InChI InChI=1S/C12H15N3O2/c1-17-8-4-2-3-7(5-8)9-6-10(9)11(16)15-12(13)14/h2-5,9-10H,6H2,1H3,(H4,13,14,15,16)/t9-,10+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404301 (CHEMBL7871) Show SMILES Clc1ccc(NC(NC(Cn2ccnc2)c2ccc(Cl)cc2Cl)=NC#N)c(Cl)c1 |w:23.25| Show InChI InChI=1S/C19H14Cl4N6/c20-12-1-3-14(15(22)7-12)18(9-29-6-5-25-11-29)28-19(26-10-24)27-17-4-2-13(21)8-16(17)23/h1-8,11,18H,9H2,(H2,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0-ATP synthase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404284 (CHEMBL8064) Show SMILES Cc1ccc(NC(=S)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H17Cl2N3OS/c1-13-2-5-15(6-3-13)23-19(26)25-18(11-24-9-8-22-12-24)16-7-4-14(20)10-17(16)21/h2-10,12,18H,11H2,1H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404285 (CHEMBL8025) Show SMILES FC(F)(F)c1ccc(c(c1)C(Cn1ccnc1)NC(Nc1ccc(Cl)cc1Cl)=NC#N)C(F)(F)F |w:28.31| Show InChI InChI=1S/C21H14Cl2F6N6/c22-13-2-4-17(16(23)8-13)33-19(32-10-30)34-18(9-35-6-5-31-11-35)14-7-12(20(24,25)26)1-3-15(14)21(27,28)29/h1-8,11,18H,9H2,(H2,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104847 (CHEMBL112146 | N-[2-(2-Chloro-phenyl)-cyclopropane...) Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl Show InChI InChI=1S/C11H12ClN3O/c12-9-4-2-1-3-6(9)7-5-8(7)10(16)15-11(13)14/h1-4,7-8H,5H2,(H4,13,14,15,16)/t7-,8+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104858 (CHEMBL110029 | N-[2-(3-Nitro-phenyl)-cyclopropanec...) Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C11H12N4O3/c12-11(13)14-10(16)9-5-8(9)6-2-1-3-7(4-6)15(17)18/h1-4,8-9H,5H2,(H4,12,13,14,16)/t8-,9+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104845 (CHEMBL113369 | N-[2-(4-Fluoro-phenyl)-cyclopropane...) Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 Show InChI InChI=1S/C11H12FN3O/c12-7-3-1-6(2-4-7)8-5-9(8)10(16)15-11(13)14/h1-4,8-9H,5H2,(H4,13,14,15,16)/t8-,9+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 2 (Homo sapiens (Human))	BDBM50104844 (BMS-284640 | CHEMBL51879 | N-[(1R,3R)-3-(2,3-Dihyd...) Show SMILES CC1(C)[C@@H]([C@H]1c1cccc2OCCc12)C(=O)NC(N)=N Show InChI InChI=1S/C15H19N3O2/c1-15(2)11(12(15)13(19)18-14(16)17)9-4-3-5-10-8(9)6-7-20-10/h3-5,11-12H,6-7H2,1-2H3,(H4,16,17,18,19)/t11-,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound is screened in AP1 cells expressing human NHE-2 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404290 (CHEMBL8473) Show SMILES Clc1ccc(C(Cn2ccnc2)NC(Nc2ccccc2Cl)=NC#N)c(Cl)c1 |w:22.24| Show InChI InChI=1S/C19H15Cl3N6/c20-13-5-6-14(16(22)9-13)18(10-28-8-7-24-12-28)27-19(25-11-23)26-17-4-2-1-3-15(17)21/h1-9,12,18H,10H2,(H2,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404300 (CHEMBL7894) Show SMILES CCC(=O)C(NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C21H21Cl3N4O/c1-2-20(29)21(26-16-6-3-14(22)4-7-16)27-19(12-28-10-9-25-13-28)17-8-5-15(23)11-18(17)24/h3-11,13,19,21,26-27H,2,12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404299 (CHEMBL8199) Show SMILES Clc1ccc(NC(=S)NC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C18H14Cl4N4S/c19-11-1-3-13(14(21)7-11)17(9-26-6-5-23-10-26)25-18(27)24-16-4-2-12(20)8-15(16)22/h1-8,10,17H,9H2,(H2,24,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0-ATP synthase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404294 (CHEMBL269307) Show SMILES Clc1ccc(C(Cn2ccnc2)NC(Nc2cccc(Cl)c2Cl)=NC#N)c(Cl)c1 |w:23.25| Show InChI InChI=1S/C19H14Cl4N6/c20-12-4-5-13(15(22)8-12)17(9-29-7-6-25-11-29)28-19(26-10-24)27-16-3-1-2-14(21)18(16)23/h1-8,11,17H,9H2,(H2,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104859 (CHEMBL113462 | N-[2-(4-Chloro-phenyl)-cyclopropane...) Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C11H12ClN3O/c12-7-3-1-6(2-4-7)8-5-9(8)10(16)15-11(13)14/h1-4,8-9H,5H2,(H4,13,14,15,16)/t8-,9+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 5 (Homo sapiens (Human))	BDBM50104844 (BMS-284640 | CHEMBL51879 | N-[(1R,3R)-3-(2,3-Dihyd...) Show SMILES CC1(C)[C@@H]([C@H]1c1cccc2OCCc12)C(=O)NC(N)=N Show InChI InChI=1S/C15H19N3O2/c1-15(2)11(12(15)13(19)18-14(16)17)9-4-3-5-10-8(9)6-7-20-10/h3-5,11-12H,6-7H2,1-2H3,(H4,16,17,18,19)/t11-,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound is screened in AP1 cells expressing human NHE-5 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104849 (CHEMBL113201 | N-(2-Phenyl-cyclopropanecarbonyl)-g...) Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1ccccc1 Show InChI InChI=1S/C11H13N3O/c12-11(13)14-10(15)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H4,12,13,14,15)/t8-,9+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404295 (CHEMBL8244) Show SMILES Clc1ccc(C(Cn2ccnc2)OC(=S)Nc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C18H15Cl2N3OS/c19-13-6-7-15(16(20)10-13)17(11-23-9-8-21-12-23)24-18(25)22-14-4-2-1-3-5-14/h1-10,12,17H,11H2,(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0-ATP synthase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404298 (CHEMBL416142) Show SMILES Clc1ccc(NC(=O)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C18H13Cl4N3O2/c19-11-1-3-13(14(21)7-11)17(9-25-6-5-23-10-25)27-18(26)24-16-4-2-12(20)8-15(16)22/h1-8,10,17H,9H2,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404292 (CHEMBL8124) Show SMILES Clc1ccc(NC(NC(Cn2ccnc2)c2ccc(Cl)cc2Cl)=NC#N)cc1 |w:23.25| Show InChI InChI=1S/C19H15Cl3N6/c20-13-1-4-15(5-2-13)26-19(25-11-23)27-18(10-28-8-7-24-12-28)16-6-3-14(21)9-17(16)22/h1-9,12,18H,10H2,(H2,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial (Bos taurus)	BDBM50404296 (CHEMBL8029) Show SMILES Clc1cccc(NC(NC(Cn2ccnc2)c2ccc(Cl)cc2Cl)=NC#N)c1 |w:24.26| Show InChI InChI=1S/C19H15Cl3N6/c20-13-2-1-3-15(8-13)26-19(25-11-23)27-18(10-28-7-6-24-12-28)16-5-4-14(21)9-17(16)22/h1-9,12,18H,10H2,(H2,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0-ATP synthase				Bioorg Med Chem Lett 14: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 2 (Homo sapiens (Human))	BDBM50058715 (CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...) Show SMILES Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)-n1cccc1 Show InChI InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound is screened in AP1 cells expressing human NHE-2 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104850 (CHEMBL112867 | N-[2-(4-Isopropyl-phenyl)-cycloprop...) Show SMILES CC(C)c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NC(N)=N Show InChI InChI=1S/C14H19N3O/c1-8(2)9-3-5-10(6-4-9)11-7-12(11)13(18)17-14(15)16/h3-6,8,11-12H,7H2,1-2H3,(H4,15,16,17,18)/t11-,12+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 5 (Homo sapiens (Human))	BDBM50058715 (CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...) Show SMILES Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)-n1cccc1 Show InChI InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound is screened in AP1 cells expressing human NHE-5 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50058715 (CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...) Show SMILES Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)-n1cccc1 Show InChI InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound is screened in AP1 cells expressing human NHE-3 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50104844 (BMS-284640 | CHEMBL51879 | N-[(1R,3R)-3-(2,3-Dihyd...) Show SMILES CC1(C)[C@@H]([C@H]1c1cccc2OCCc12)C(=O)NC(N)=N Show InChI InChI=1S/C15H19N3O2/c1-15(2)11(12(15)13(19)18-14(16)17)9-4-3-5-10-8(9)6-7-20-10/h3-5,11-12H,6-7H2,1-2H3,(H4,16,17,18,19)/t11-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound is screened in AP1 cells expressing human NHE-3 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104857 (CHEMBL333603 | N-[2-(4-Nitro-phenyl)-cyclopropanec...) Show SMILES NC(=N)NC(=O)[C@H]1C[C@@H]1c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C11H12N4O3/c12-11(13)14-10(16)9-5-8(9)6-1-3-7(4-2-6)15(17)18/h1-4,8-9H,5H2,(H4,12,13,14,16)/t8-,9+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 5 (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound is screened in AP1 cells expressing human NHE-5 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound is screened in AP1 cells expressing human NHE-3 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair

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