Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'grazier' and Initial = 'n'   

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
Coagulation factor X (Homo sapiens (Human))	BDBM26359 ((2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-N,N...) Show SMILES CN(C)C(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2c(Cl)c[nH]c12 |r,w:26.28| Show InChI InChI=1S/C26H32ClN7O3/c1-32(2)25(36)18(14-28)24(30-20-10-7-8-17-19(27)15-29-23(17)20)31-21-9-3-4-13-34(26(21)37)16-22(35)33-11-5-6-12-33/h7-8,10,15,18,21,29H,3-6,9,11-13,16H2,1-2H3,(H,30,31)/t18?,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...				J Med Chem 51: 7541-51 (2008) Article DOI: 10.1021/jm800855x BindingDB Entry DOI: 10.7270/Q2V12332
					More data for this Ligand-Target Pair
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
Coagulation factor X (Homo sapiens (Human))	BDBM26357 (3-chloroindole compound, 18 | methyl (2Z)-3-[(3-ch...) Show SMILES COC(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2c(Cl)c[nH]c12 |r,w:25.27| Show InChI InChI=1S/C25H29ClN6O4/c1-36-25(35)17(13-27)23(29-19-9-6-7-16-18(26)14-28-22(16)19)30-20-8-2-3-12-32(24(20)34)15-21(33)31-10-4-5-11-31/h6-7,9,14,17,20,28H,2-5,8,10-12,15H2,1H3,(H,29,30)/t17?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...				J Med Chem 51: 7541-51 (2008) Article DOI: 10.1021/jm800855x BindingDB Entry DOI: 10.7270/Q2V12332
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Coagulation factor X (Homo sapiens (Human))	BDBM26360 ((2Z)-3-[(3-bromo-1H-indol-7-yl)amino]-2-cyano-N,N-...) Show SMILES CN(C)C(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2c(Br)c[nH]c12 |r,w:26.28| Show InChI InChI=1S/C26H32BrN7O3/c1-32(2)25(36)18(14-28)24(30-20-10-7-8-17-19(27)15-29-23(17)20)31-21-9-3-4-13-34(26(21)37)16-22(35)33-11-5-6-12-33/h7-8,10,15,18,21,29H,3-6,9,11-13,16H2,1-2H3,(H,30,31)/t18?,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...				J Med Chem 51: 7541-51 (2008) Article DOI: 10.1021/jm800855x BindingDB Entry DOI: 10.7270/Q2V12332
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM26354 (2-{[(3-chloro-1H-indol-7-yl)amino]({[(3S)-2-oxo-1-...) Show SMILES Clc1c[nH]c2c(cccc12)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C#N |r,w:10.11| Show InChI InChI=1S/C24H26ClN7O2/c25-18-14-28-22-17(18)6-5-8-19(22)29-23(16(12-26)13-27)30-20-7-1-2-11-32(24(20)34)15-21(33)31-9-3-4-10-31/h5-6,8,14,16,20,28H,1-4,7,9-11,15H2,(H,29,30)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...				J Med Chem 51: 7541-51 (2008) Article DOI: 10.1021/jm800855x BindingDB Entry DOI: 10.7270/Q2V12332
					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
Coagulation factor X (Homo sapiens (Human))	BDBM26351 (2-methylbenzofuran compound, 2 | 2-{[(2-methyl-1-b...) Show SMILES Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C#N |r,w:10.11| Show InChI InChI=1S/C25H28N6O3/c1-17-12-18-13-20(7-8-22(18)34-17)28-24(19(14-26)15-27)29-21-6-2-3-11-31(25(21)33)16-23(32)30-9-4-5-10-30/h7-8,12-13,19,21H,2-6,9-11,16H2,1H3,(H,28,29)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...				J Med Chem 51: 7541-51 (2008) Article DOI: 10.1021/jm800855x BindingDB Entry DOI: 10.7270/Q2V12332
					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
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
Coagulation factor X (Homo sapiens (Human))	BDBM26364 ((3S)-1-(3-chloro-1H-indol-7-yl)-2-cyano-2-oxo-1-[2...) Show SMILES Clc1c[nH]c2c(cccc12)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:10.11| Show InChI InChI=1S/C22H26ClN7O2/c23-16-12-25-20-15(16)6-5-8-17(20)27-22(26-14-24)28-18-7-1-2-11-30(21(18)32)13-19(31)29-9-3-4-10-29/h5-6,8,12,18,25H,1-4,7,9-11,13H2,(H2,26,27,28)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...				J Med Chem 51: 7541-51 (2008) Article DOI: 10.1021/jm800855x BindingDB Entry DOI: 10.7270/Q2V12332
					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
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
Coagulation factor X (Homo sapiens (Human))	BDBM26350 ((S)-1-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)aze...) Show SMILES Cc1cccc(NC(=S)N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)c1 |r| Show InChI InChI=1S/C20H28N4O2S/c1-15-7-6-8-16(13-15)21-20(27)22-17-9-2-3-12-24(19(17)26)14-18(25)23-10-4-5-11-23/h6-8,13,17H,2-5,9-12,14H2,1H3,(H2,21,22,27)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...				J Med Chem 51: 7541-51 (2008) Article DOI: 10.1021/jm800855x BindingDB Entry DOI: 10.7270/Q2V12332
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM26352 (2-{[(3-methyl-1H-indol-7-yl)amino]({[(3S)-2-oxo-1-...) Show SMILES Cc1c[nH]c2c(cccc12)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C#N |r,w:10.11| Show InChI InChI=1S/C25H29N7O2/c1-17-15-28-23-19(17)7-6-9-20(23)29-24(18(13-26)14-27)30-21-8-2-3-12-32(25(21)34)16-22(33)31-10-4-5-11-31/h6-7,9,15,18,21,28H,2-5,8,10-12,16H2,1H3,(H,29,30)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...				J Med Chem 51: 7541-51 (2008) Article DOI: 10.1021/jm800855x BindingDB Entry DOI: 10.7270/Q2V12332
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM26358 ((2Z)-2-cyano-N,N-dimethyl-3-[(3-methyl-1H-indol-7-...) Show SMILES CN(C)C(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2c(C)c[nH]c12 |r,w:26.28| Show InChI InChI=1S/C27H35N7O3/c1-18-16-29-24-19(18)9-8-11-21(24)30-25(20(15-28)26(36)32(2)3)31-22-10-4-5-14-34(27(22)37)17-23(35)33-12-6-7-13-33/h8-9,11,16,20,22,29H,4-7,10,12-14,17H2,1-3H3,(H,30,31)/t20?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...				J Med Chem 51: 7541-51 (2008) Article DOI: 10.1021/jm800855x BindingDB Entry DOI: 10.7270/Q2V12332
					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
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
Coagulation factor X (Homo sapiens (Human))	BDBM26361 ((2Z)-2-cyano-3-[(3-cyano-1H-indol-7-yl)amino]-N,N-...) Show SMILES CN(C)C(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2c(c[nH]c12)C#N |r,w:26.28| Show InChI InChI=1S/C27H32N8O3/c1-33(2)26(37)20(15-29)25(31-21-10-7-8-19-18(14-28)16-30-24(19)21)32-22-9-3-4-13-35(27(22)38)17-23(36)34-11-5-6-12-34/h7-8,10,16,20,22,30H,3-6,9,11-13,17H2,1-2H3,(H,31,32)/t20?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...				J Med Chem 51: 7541-51 (2008) Article DOI: 10.1021/jm800855x BindingDB Entry DOI: 10.7270/Q2V12332
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM26363 ((3S)-2-cyano-1-(3-methyl-1H-indol-7-yl)-2-oxo-1-[2...) Show SMILES Cc1c[nH]c2c(cccc12)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:10.11| Show InChI InChI=1S/C23H29N7O2/c1-16-13-25-21-17(16)7-6-9-18(21)27-23(26-15-24)28-19-8-2-3-12-30(22(19)32)14-20(31)29-10-4-5-11-29/h6-7,9,13,19,25H,2-5,8,10-12,14H2,1H3,(H2,26,27,28)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	336	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...				J Med Chem 51: 7541-51 (2008) Article DOI: 10.1021/jm800855x BindingDB Entry DOI: 10.7270/Q2V12332
					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
Coagulation factor X (Homo sapiens (Human))	BDBM26353 (2-[(1H-indol-7-ylamino)({[(3S)-2-oxo-1-[2-oxo-2-(p...) Show SMILES O=C(CN1CCCC[C@H](NC(=Nc2cccc3cc[nH]c23)C(C#N)C#N)C1=O)N1CCCC1 |r,w:11.11| Show InChI InChI=1S/C24H27N7O2/c25-14-18(15-26)23(28-19-8-5-6-17-9-10-27-22(17)19)29-20-7-1-2-13-31(24(20)33)16-21(32)30-11-3-4-12-30/h5-6,8-10,18,20,27H,1-4,7,11-13,16H2,(H,28,29)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...				J Med Chem 51: 7541-51 (2008) Article DOI: 10.1021/jm800855x BindingDB Entry DOI: 10.7270/Q2V12332
					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
Coagulation factor X (Homo sapiens (Human))	BDBM26355 (indole-7-yl compound, 16 | methyl (2Z)-2-cyano-3-(...) Show SMILES COC(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2cc[nH]c12 |r,w:25.27| Show InChI InChI=1S/C25H30N6O4/c1-35-25(34)18(15-26)23(28-19-9-6-7-17-10-11-27-22(17)19)29-20-8-2-3-14-31(24(20)33)16-21(32)30-12-4-5-13-30/h6-7,9-11,18,20,27H,2-5,8,12-14,16H2,1H3,(H,28,29)/t18?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...				J Med Chem 51: 7541-51 (2008) Article DOI: 10.1021/jm800855x BindingDB Entry DOI: 10.7270/Q2V12332
					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))	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 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 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
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
Coagulation factor X (Homo sapiens (Human))	BDBM26356 (indazol-7-yl compound, 17 | methyl (2Z)-2-cyano-3-...) Show SMILES COC(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2c[nH]nc12 |r,w:25.27| Show InChI InChI=1S/C24H29N7O4/c1-35-24(34)17(13-25)22(27-18-9-6-7-16-14-26-29-21(16)18)28-19-8-2-3-12-31(23(19)33)15-20(32)30-10-4-5-11-30/h6-7,9,14,17,19H,2-5,8,10-12,15H2,1H3,(H,26,29)(H,27,28)/t17?,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...				J Med Chem 51: 7541-51 (2008) Article DOI: 10.1021/jm800855x BindingDB Entry DOI: 10.7270/Q2V12332
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM26362 (3-carboxamide indole compound, 23 | 7-{[(1Z)-2-cya...) Show SMILES CN(C)C(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2c(c[nH]c12)C(N)=O |r,w:26.28| Show InChI InChI=1S/C27H34N8O4/c1-33(2)26(38)18(14-28)25(31-20-10-7-8-17-19(24(29)37)15-30-23(17)20)32-21-9-3-4-13-35(27(21)39)16-22(36)34-11-5-6-12-34/h7-8,10,15,18,21,30H,3-6,9,11-13,16H2,1-2H3,(H2,29,37)(H,31,32)/t18?,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...				J Med Chem 51: 7541-51 (2008) Article DOI: 10.1021/jm800855x BindingDB Entry DOI: 10.7270/Q2V12332
					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))	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 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 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
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))	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 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 2 (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	6.20E+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