Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50037038   

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)	BDBM50115243 ((S)-N-[7-(5-fluoro-2-methylphenyl)-4-methyl-(7S)-5...) Show SMILES [#6]-c1ccc(F)cc1-[#6@H]-1-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c(-[#6])ccnc2-[#6]-1 |w:11.12| Show InChI InChI=1S/C18H20FN5/c1-10-3-4-13(19)9-14(10)12-7-15-17(11(2)5-6-22-15)16(8-12)23-24-18(20)21/h3-6,9,12H,7-8H2,1-2H3,(H4,20,21,24)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115239 ((S)-N-[7-(2,5-dichloro-3-thienyl)-4-methyl-(7S)-5,...) Show SMILES [#6]-c1ccnc2-[#6]-[#6@H](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cc(Cl)sc1Cl |w:10.10| Show InChI InChI=1S/C15H15Cl2N5S/c1-7-2-3-20-10-4-8(9-6-12(16)23-14(9)17)5-11(13(7)10)21-22-15(18)19/h2-3,6,8H,4-5H2,1H3,(H4,18,19,22)/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115271 (CHEMBL556009 | N-[7-(2,5-dichloro-3-thienyl)-4-met...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cc(Cl)sc1Cl |w:10.10| Show InChI InChI=1S/C15H15Cl2N5S/c1-7-2-3-20-10-4-8(9-6-12(16)23-14(9)17)5-11(13(7)10)21-22-15(18)19/h2-3,6,8H,4-5H2,1H3,(H4,18,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115248 (CHEMBL552723 | N-[7-(3-chloro-2-thienyl)-4-methyl-...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1sccc1Cl |w:10.10| Show InChI InChI=1S/C15H16ClN5S/c1-8-2-4-19-11-6-9(14-10(16)3-5-22-14)7-12(13(8)11)20-21-15(17)18/h2-5,9H,6-7H2,1H3,(H4,17,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115246 (CHEMBL543867 | N-[7-(2-chloro-5-fluorophenyl)-4-me...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cc(F)ccc1Cl |w:10.10| Show InChI InChI=1S/C17H17ClFN5/c1-9-4-5-22-14-6-10(12-8-11(19)2-3-13(12)18)7-15(16(9)14)23-24-17(20)21/h2-5,8,10H,6-7H2,1H3,(H4,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115267 (CHEMBL102546 | N-[7-(2-chlorophenyl)-4-methyl-(7S)...) Show SMILES [#6]-c1ccnc2-[#6]-[#6@H](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Cl |w:10.10| Show InChI InChI=1S/C17H18ClN5/c1-10-6-7-21-14-8-11(12-4-2-3-5-13(12)18)9-15(16(10)14)22-23-17(19)20/h2-7,11H,8-9H2,1H3,(H4,19,20,23)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115268 (CHEMBL554001 | N-[7-(2-chloro-3-thienyl)-4-methyl-...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccsc1Cl |w:10.10| Show InChI InChI=1S/C15H16ClN5S/c1-8-2-4-19-11-6-9(10-3-5-22-14(10)16)7-12(13(8)11)20-21-15(17)18/h2-5,9H,6-7H2,1H3,(H4,17,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115238 (CHEMBL552865 | N-[7-(2-chlorophenyl)-4-methyl-5,6,...) Show SMILES [#6]-c1cnnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Cl |w:10.10| Show InChI InChI=1S/C16H17ClN6/c1-9-8-20-21-13-6-10(11-4-2-3-5-12(11)17)7-14(15(9)13)22-23-16(18)19/h2-5,8,10H,6-7H2,1H3,(H4,18,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115245 (CHEMBL554215 | N-[4-methyl-7-(3-thienyl)-5,6,7,8-t...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccsc1 |w:10.10| Show InChI InChI=1S/C15H17N5S/c1-9-2-4-18-12-6-11(10-3-5-21-8-10)7-13(14(9)12)19-20-15(16)17/h2-5,8,11H,6-7H2,1H3,(H4,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115236 (CHEMBL542925 | N-[7-(5-fluoro-2-methoxyphenyl)-4-m...) Show SMILES [#6]-[#8]-c1ccc(F)cc1-[#6]-1-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c(-[#6])ccnc2-[#6]-1 |w:12.13| Show InChI InChI=1S/C18H20FN5O/c1-10-5-6-22-14-7-11(8-15(17(10)14)23-24-18(20)21)13-9-12(19)3-4-16(13)25-2/h3-6,9,11H,7-8H2,1-2H3,(H4,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115233 (CHEMBL541577 | N-[7-(2-fluorophenyl)-4-methyl-5,6,...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1F |w:10.10| Show InChI InChI=1S/C17H18FN5/c1-10-6-7-21-14-8-11(12-4-2-3-5-13(12)18)9-15(16(10)14)22-23-17(19)20/h2-7,11H,8-9H2,1H3,(H4,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115270 ((R)-N-[7-(2,5-dichloro-3-thienyl)-4-methyl-(7R)-5,...) Show SMILES [#6]-c1ccnc2-[#6]-[#6@@H](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cc(Cl)sc1Cl |w:10.10| Show InChI InChI=1S/C15H15Cl2N5S/c1-7-2-3-20-10-4-8(9-6-12(16)23-14(9)17)5-11(13(7)10)21-22-15(18)19/h2-3,6,8H,4-5H2,1H3,(H4,18,19,22)/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115264 (CHEMBL552934 | N-[3-methyl-6-(2-methylphenyl)-4,5,...) Show SMILES Cc1c[nH]c2CC(CC(=NN=C(N)N)c12)c1ccccc1C |w:9.9,(4.35,-5.54,;5.44,-6.63,;5.44,-8.17,;6.77,-8.96,;8.08,-8.17,;9.43,-8.94,;10.76,-8.17,;10.76,-6.63,;9.43,-5.86,;9.43,-4.32,;10.76,-3.55,;10.76,-2.01,;12.09,-1.24,;9.41,-1.24,;8.1,-6.63,;12.09,-8.94,;12.09,-10.48,;13.42,-11.25,;14.75,-10.48,;14.75,-8.94,;13.42,-8.17,;13.42,-6.63,)| Show InChI InChI=1S/C17H21N5/c1-10-5-3-4-6-13(10)12-7-14-16(11(2)9-20-14)15(8-12)21-22-17(18)19/h3-6,9,12,20H,7-8H2,1-2H3,(H4,18,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115258 (CHEMBL555535 | N-[7-(5-fluoro-2-methylphenyl)-4-me...) Show SMILES [#6]-c1ccc(F)cc1-[#6]-1-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c(-[#6])ccnc2-[#6]-1 |w:11.12| Show InChI InChI=1S/C18H20FN5/c1-10-3-4-13(19)9-14(10)12-7-15-17(11(2)5-6-22-15)16(8-12)23-24-18(20)21/h3-6,9,12H,7-8H2,1-2H3,(H4,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115257 (CHEMBL542687 | N-[7-(2,5-difluorophenyl)-4-methyl-...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cc(F)ccc1F |w:10.10| Show InChI InChI=1S/C17H17F2N5/c1-9-4-5-22-14-6-10(12-8-11(18)2-3-13(12)19)7-15(16(9)14)23-24-17(20)21/h2-5,8,10H,6-7H2,1H3,(H4,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115256 (CHEMBL543148 | N-[7-(2-chlorophenyl)-4-methyl-5,6,...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Cl |w:10.10| Show InChI InChI=1S/C17H18ClN5/c1-10-6-7-21-14-8-11(12-4-2-3-5-13(12)18)9-15(16(10)14)22-23-17(19)20/h2-7,11H,8-9H2,1H3,(H4,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115252 (CHEMBL552827 | N-[4-methyl-7-(2-thienyl)-5,6,7,8-t...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cccs1 |w:10.10| Show InChI InChI=1S/C15H17N5S/c1-9-4-5-18-11-7-10(13-3-2-6-21-13)8-12(14(9)11)19-20-15(16)17/h2-6,10H,7-8H2,1H3,(H4,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115260 (CHEMBL545732 | N-[7-(3,5-dichloro-2-thienyl)-4-met...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1sc(Cl)cc1Cl |w:10.10| Show InChI InChI=1S/C15H15Cl2N5S/c1-7-2-3-20-10-4-8(14-9(16)6-12(17)23-14)5-11(13(7)10)21-22-15(18)19/h2-3,6,8H,4-5H2,1H3,(H4,18,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115234 (CHEMBL105412 | N-[7-(2-chlorophenyl)-4-methoxy-5,6...) Show SMILES [#6]-[#8]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Cl |w:11.11| Show InChI InChI=1S/C17H18ClN5O/c1-24-15-6-7-21-13-8-10(11-4-2-3-5-12(11)18)9-14(16(13)15)22-23-17(19)20/h2-7,10H,8-9H2,1H3,(H4,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115241 (CHEMBL541918 | N-[6-(2-chlorophenyl)-3-methyl-4,5,...) Show SMILES Cc1n[nH]c2CC(CC(=NN=C(N)N)c12)c1ccccc1Cl |w:9.9,(-1.12,-2.5,;-.04,-3.6,;-.04,-5.14,;1.29,-5.93,;2.61,-5.14,;3.95,-5.91,;5.3,-5.14,;5.3,-3.6,;3.95,-2.83,;3.95,-1.29,;5.28,-.52,;5.28,1.02,;6.61,1.79,;3.94,1.79,;2.62,-3.6,;6.63,-5.91,;6.63,-7.45,;7.96,-8.22,;9.29,-7.45,;9.29,-5.91,;7.96,-5.14,;7.94,-3.6,)| Show InChI InChI=1S/C15H17ClN6/c1-8-14-12(20-19-8)6-9(7-13(14)21-22-15(17)18)10-4-2-3-5-11(10)16/h2-5,9H,6-7H2,1H3,(H,19,20)(H4,17,18,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115259 (CHEMBL554422 | N-[7-(2-bromophenyl)-4-methyl-5,6,7...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Br |w:10.10| Show InChI InChI=1S/C17H18BrN5/c1-10-6-7-21-14-8-11(12-4-2-3-5-13(12)18)9-15(16(10)14)22-23-17(19)20/h2-7,11H,8-9H2,1H3,(H4,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115228 (CHEMBL552540 | N-[4-methyl-7-(2-methylphenyl)-5,6,...) Show SMILES [#6]-c1ccccc1-[#6]-1-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c(-[#6])ccnc2-[#6]-1 |w:10.11| Show InChI InChI=1S/C18H21N5/c1-11-5-3-4-6-14(11)13-9-15-17(12(2)7-8-21-15)16(10-13)22-23-18(19)20/h3-8,13H,9-10H2,1-2H3,(H4,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115255 (CHEMBL540813 | N-[7-(2,5-dichlorophenyl)-4-methyl-...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cc(Cl)ccc1Cl |w:10.10| Show InChI InChI=1S/C17H17Cl2N5/c1-9-4-5-22-14-6-10(12-8-11(18)2-3-13(12)19)7-15(16(9)14)23-24-17(20)21/h2-5,8,10H,6-7H2,1H3,(H4,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115229 (CHEMBL553754 | N-[7-(3-chlorophenyl)-4-methyl-5,6,...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cccc(Cl)c1 |w:10.10| Show InChI InChI=1S/C17H18ClN5/c1-10-5-6-21-14-8-12(11-3-2-4-13(18)7-11)9-15(16(10)14)22-23-17(19)20/h2-7,12H,8-9H2,1H3,(H4,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	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	PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115235 (CHEMBL541833 | N-[6-(2-chlorophenyl)-3-methyl-4,5,...) Show SMILES [#6]-c1coc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Cl |w:9.9| Show InChI InChI=1S/C16H17ClN4O/c1-9-8-22-14-7-10(11-4-2-3-5-12(11)17)6-13(15(9)14)20-21-16(18)19/h2-5,8,10H,6-7H2,1H3,(H4,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115269 (CHEMBL554686 | N-[7-(2,3-dichlorophenyl)-4-methyl-...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1cccc(Cl)c1Cl |w:10.10| Show InChI InChI=1S/C17H17Cl2N5/c1-9-5-6-22-13-7-10(11-3-2-4-12(18)16(11)19)8-14(15(9)13)23-24-17(20)21/h2-6,10H,7-8H2,1H3,(H4,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115261 (CHEMBL543865 | N-(4-methyl-7-phenyl-5,6,7,8-tetrah...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1 |w:10.10| Show InChI InChI=1S/C17H19N5/c1-11-7-8-20-14-9-13(12-5-3-2-4-6-12)10-15(16(11)14)21-22-17(18)19/h2-8,13H,9-10H2,1H3,(H4,18,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115253 (CHEMBL555103 | N-[7-(2-methoxyphenyl)-4-methyl-5,6...) Show SMILES [#6]-[#8]-c1ccccc1-[#6]-1-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c(-[#6])ccnc2-[#6]-1 |w:11.12| Show InChI InChI=1S/C18H21N5O/c1-11-7-8-21-14-9-12(13-5-3-4-6-16(13)24-2)10-15(17(11)14)22-23-18(19)20/h3-8,12H,9-10H2,1-2H3,(H4,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115242 (CHEMBL554125 | N-[7-(2-furyl)-4-methyl-5,6,7,8-tet...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccco1 |w:10.10| Show InChI InChI=1S/C15H17N5O/c1-9-4-5-18-11-7-10(13-3-2-6-21-13)8-12(14(9)11)19-20-15(16)17/h2-6,10H,7-8H2,1H3,(H4,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115249 (CHEMBL545502 | N-(2,4-dimethyl-7-phenyl-5,6,7,8-te...) Show SMILES [#6]-c1cc(-[#6])c2-[#6](-[#6]-[#6](-[#6]-c2n1)-c1ccccc1)=[#7]\[#7]=[#6](\[#7])-[#7] |w:18.21| Show InChI InChI=1S/C18H21N5/c1-11-8-12(2)21-15-9-14(13-6-4-3-5-7-13)10-16(17(11)15)22-23-18(19)20/h3-8,14H,9-10H2,1-2H3,(H4,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115244 (CHEMBL554470 | N-[2-(2-chlorophenyl)-5-methyl-3,4-...) Show SMILES [#6]-c1cccc2-[#8]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Cl |w:10.10| Show InChI InChI=1S/C17H17ClN4O/c1-10-5-4-8-14-16(10)13(21-22-17(19)20)9-15(23-14)11-6-2-3-7-12(11)18/h2-8,15H,9H2,1H3,(H4,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115263 (CHEMBL552705 | N-[6-(2-chlorophenyl)-3-methyl-4,5,...) Show SMILES [#6]-c1csc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Cl |w:9.9| Show InChI InChI=1S/C16H17ClN4S/c1-9-8-22-14-7-10(11-4-2-3-5-12(11)17)6-13(15(9)14)20-21-16(18)19/h2-5,8,10H,6-7H2,1H3,(H4,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115262 ((R)-N-[7-(5-fluoro-2-methylphenyl)-4-methyl-(7R)-5...) Show SMILES [#6]-c1ccc(F)cc1-[#6@@H]-1-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c(-[#6])ccnc2-[#6]-1 |w:11.12| Show InChI InChI=1S/C18H20FN5/c1-10-3-4-13(19)9-14(10)12-7-15-17(11(2)5-6-22-15)16(8-12)23-24-18(20)21/h3-6,9,12H,7-8H2,1-2H3,(H4,20,21,24)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115231 (CHEMBL545027 | N-[7-(2-chlorophenyl)-4-methyl-5,6,...) Show SMILES [#6]-c1ncnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Cl |w:10.10| Show InChI InChI=1S/C16H17ClN6/c1-9-15-13(21-8-20-9)6-10(7-14(15)22-23-16(18)19)11-4-2-3-5-12(11)17/h2-5,8,10H,6-7H2,1H3,(H4,18,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115265 (CHEMBL545499 | N-[7-(2,4-dichlorophenyl)-4-methyl-...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccc(Cl)cc1Cl |w:10.10| Show InChI InChI=1S/C17H17Cl2N5/c1-9-4-5-22-14-6-10(12-3-2-11(18)8-13(12)19)7-15(16(9)14)23-24-17(20)21/h2-5,8,10H,6-7H2,1H3,(H4,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115247 (CHEMBL544566 | N-[2-(2-chlorophenyl)-5-methyl-4H-4...) Show SMILES [#6]-c1cccc2oc(cc(=[#7]\[#7]=[#6](\[#7])-[#7])c12)-c1ccccc1Cl |w:10.10| Show InChI InChI=1S/C17H15ClN4O/c1-10-5-4-8-14-16(10)13(21-22-17(19)20)9-15(23-14)11-6-2-3-7-12(11)18/h2-9H,1H3,(H4,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115237 (CHEMBL542443 | N-(7-phenyl-5,6,7,8-tetrahydro-5-qu...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-1-[#6]-[#6](-[#6]-c2ncccc-12)-c1ccccc1 |w:4.3| Show InChI InChI=1S/C16H17N5/c17-16(18)21-20-15-10-12(11-5-2-1-3-6-11)9-14-13(15)7-4-8-19-14/h1-8,12H,9-10H2,(H4,17,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115230 (CHEMBL554685 | N-[7-(4-chlorophenyl)-4-methyl-5,6,...) Show SMILES [#6]-c1ccnc2-[#6]-[#6](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccc(Cl)cc1 |w:10.10| Show InChI InChI=1S/C17H18ClN5/c1-10-6-7-21-14-8-12(11-2-4-13(18)5-3-11)9-15(16(10)14)22-23-17(19)20/h2-7,12H,8-9H2,1H3,(H4,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115251 (CHEMBL103011 | N-[7-(2-chlorophenyl)-4-methyl-(7S)...) Show SMILES [#6]-c1ccnc2-[#6]-[#6@@H](-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c12)-c1ccccc1Cl |w:10.10| Show InChI InChI=1S/C17H18ClN5/c1-10-6-7-21-14-8-11(12-4-2-3-5-13(12)18)9-15(16(10)14)22-23-17(19)20/h2-7,11H,8-9H2,1H3,(H4,19,20,23)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115240 (CHEMBL100549 | N-[2-(2-benzyloxy-3-methoxyphenyl)-...) Show SMILES COc1cccc(C=NNC(N)=N)c1OCc1ccccc1 |w:7.6| Show InChI InChI=1S/C16H18N4O2/c1-21-14-9-5-8-13(10-19-20-16(17)18)15(14)22-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H4,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115250 (CHEMBL552828 | N-(2-methyl-7-phenyl-5,6,7,8-tetrah...) Show SMILES [#6]-c1ccc2-[#6](-[#6]-[#6](-[#6]-c2n1)-c1ccccc1)=[#7]\[#7]=[#6](\[#7])-[#7] |w:17.20| Show InChI InChI=1S/C17H19N5/c1-11-7-8-14-15(20-11)9-13(12-5-3-2-4-6-12)10-16(14)21-22-17(18)19/h2-8,13H,9-10H2,1H3,(H4,18,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115254 (CHEMBL554227 | N-(2-phenyl-3,4-dihydro-2H-4-chrome...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-1-[#6]-[#6](-[#8]-c2ccccc-12)-c1ccccc1 |w:4.3| Show InChI InChI=1S/C16H16N4O/c17-16(18)20-19-13-10-15(11-6-2-1-3-7-11)21-14-9-5-4-8-12(13)14/h1-9,15H,10H2,(H4,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115232 (CHEMBL553056 | N-(6-phenyl-4,5,6,7-tetrahydro-1H-4...) Show SMILES NC(N)=NN=C1CC(Cc2[nH]ccc12)c1ccccc1 |w:4.3,(11.37,-1.24,;10.04,-2.01,;8.71,-1.24,;10.04,-3.55,;8.71,-4.32,;8.71,-5.86,;10.06,-6.63,;10.06,-8.17,;8.71,-8.94,;7.38,-8.17,;6.23,-8.84,;5.06,-8.15,;5.07,-6.81,;7.38,-6.82,;11.39,-8.94,;12.72,-8.17,;14.05,-8.94,;14.05,-10.48,;12.72,-11.25,;11.39,-10.48,)| Show InChI InChI=1S/C15H17N5/c16-15(17)20-19-14-9-11(10-4-2-1-3-5-10)8-13-12(14)6-7-18-13/h1-7,11,18H,8-9H2,(H4,16,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Rattus norvegicus)	BDBM50115266 (CHEMBL540046 | N-(2-phenyl-4H-4-chromenyliden(imin...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=c1cc(oc2ccccc12)-c1ccccc1 |w:4.3| Show InChI InChI=1S/C16H14N4O/c17-16(18)20-19-13-10-15(11-6-2-1-3-7-11)21-14-9-5-4-8-12(13)14/h1-10H,(H4,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition				J Med Chem 45: 3009-21 (2002) BindingDB Entry DOI: 10.7270/Q2V40VZN
					More data for this Ligand-Target Pair