Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50019080   

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))	BDBM50201454 (CHEMBL392093 | N-(diaminomethylene)-5-(2,5-dichlor...) Show SMILES NC(=N)NC(=O)c1oc(cc1N1CCCC1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C16H16Cl2N4O2/c17-9-3-4-11(18)10(7-9)13-8-12(22-5-1-2-6-22)14(24-13)15(23)21-16(19)20/h3-4,7-8H,1-2,5-6H2,(H4,19,20,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201465 (3-amino-N-(diaminomethylene)-5-(2,5-dichlorophenyl...) Show SMILES NC(=N)NC(=O)c1oc(cc1N)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C12H10Cl2N4O2/c13-5-1-2-7(14)6(3-5)9-4-8(15)10(20-9)11(19)18-12(16)17/h1-4H,15H2,(H4,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201443 (CHEMBL395897 | N-(diaminomethylene)-5-(2,5-dichlor...) Show SMILES CN(C)c1cc(oc1C(=O)NC(N)=N)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C14H14Cl2N4O2/c1-20(2)10-6-11(8-5-7(15)3-4-9(8)16)22-12(10)13(21)19-14(17)18/h3-6H,1-2H3,(H4,17,18,19,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201470 (5-(5-chloro-2-methoxyphenyl)-N-(diaminomethylene)-...) Show SMILES COc1ccc(Cl)cc1-c1cc(C)c(o1)C(=O)NC(N)=N Show InChI InChI=1S/C14H14ClN3O3/c1-7-5-11(21-12(7)13(19)18-14(16)17)9-6-8(15)3-4-10(9)20-2/h3-6H,1-2H3,(H4,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201447 (5-(5-chloro-2-methoxyphenyl)-N-(diaminomethylene)-...) Show SMILES COc1ccc(Cl)cc1-c1cc(N(C)C)c(o1)C(=O)NC(N)=N Show InChI InChI=1S/C15H17ClN4O3/c1-20(2)10-7-12(23-13(10)14(21)19-15(17)18)9-6-8(16)4-5-11(9)22-3/h4-7H,1-3H3,(H4,17,18,19,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201472 (3-amino-5-(5-chloro-2-methoxyphenyl)-N-(diaminomet...) Show SMILES COc1ccc(Cl)cc1-c1cc(N)c(o1)C(=O)NC(N)=N Show InChI InChI=1S/C13H13ClN4O3/c1-20-9-3-2-6(14)4-7(9)10-5-8(15)11(21-10)12(19)18-13(16)17/h2-5H,15H2,1H3,(H4,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50292303 (CHEMBL397141 | N-(diaminomethylene)-5-(2,5-dichlor...) Show SMILES Cc1cc(oc1C(=O)NC(N)=N)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H11Cl2N3O2/c1-6-4-10(8-5-7(14)2-3-9(8)15)20-11(6)12(19)18-13(16)17/h2-5H,1H3,(H4,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201450 (CHEMBL232974 | N-(diaminomethylene)-3-methyl-5-phe...) Show SMILES Cc1cc(oc1C(=O)NC(N)=N)-c1ccccc1 Show InChI InChI=1S/C13H13N3O2/c1-8-7-10(9-5-3-2-4-6-9)18-11(8)12(17)16-13(14)15/h2-7H,1H3,(H4,14,15,16,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201446 (5-(3-chlorophenyl)-N-(diaminomethylene)-3-methylfu...) Show SMILES Cc1cc(oc1C(=O)NC(N)=N)-c1cccc(Cl)c1 Show InChI InChI=1S/C13H12ClN3O2/c1-7-5-10(8-3-2-4-9(14)6-8)19-11(7)12(18)17-13(15)16/h2-6H,1H3,(H4,15,16,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201441 (3-amino-N-(diaminomethylene)-5-(2,5-dimethylphenyl...) Show SMILES Cc1ccc(C)c(c1)-c1cc(N)c(o1)C(=O)NC(N)=N Show InChI InChI=1S/C14H16N4O2/c1-7-3-4-8(2)9(5-7)11-6-10(15)12(20-11)13(19)18-14(16)17/h3-6H,15H2,1-2H3,(H4,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201461 (CHEMBL233778 | N-(diaminomethylene)-5-(2,5-dichlor...) Show SMILES CNc1cc(oc1C(=O)NC(N)=N)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H12Cl2N4O2/c1-18-9-5-10(7-4-6(14)2-3-8(7)15)21-11(9)12(20)19-13(16)17/h2-5,18H,1H3,(H4,16,17,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201448 (5-(3-chlorophenyl)-N-(diaminomethylene)-3-(dimethy...) Show SMILES CN(C)c1cc(oc1C(=O)NC(N)=N)-c1cccc(Cl)c1 Show InChI InChI=1S/C14H15ClN4O2/c1-19(2)10-7-11(8-4-3-5-9(15)6-8)21-12(10)13(20)18-14(16)17/h3-7H,1-2H3,(H4,16,17,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201462 (CHEMBL395667 | N-(diaminomethylene)-3-(dimethylami...) Show SMILES CN(C)c1cc(oc1C(=O)NC(N)=N)-c1ccccc1 Show InChI InChI=1S/C14H16N4O2/c1-18(2)10-8-11(9-6-4-3-5-7-9)20-12(10)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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201440 (3-amino-N-(diaminomethylene)-5-(5-fluoro-2-methoxy...) Show SMILES COc1ccc(F)cc1-c1cc(N)c(o1)C(=O)NC(N)=N Show InChI InChI=1S/C13H13FN4O3/c1-20-9-3-2-6(14)4-7(9)10-5-8(15)11(21-10)12(19)18-13(16)17/h2-5H,15H2,1H3,(H4,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201460 (CHEMBL232558 | N-(diaminomethylene)-5-(2,5-difluor...) Show SMILES Cc1cc(oc1C(=O)NC(N)=N)-c1cc(F)ccc1F Show InChI InChI=1S/C13H11F2N3O2/c1-6-4-10(8-5-7(14)2-3-9(8)15)20-11(6)12(19)18-13(16)17/h2-5H,1H3,(H4,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201464 (3-amino-N-(diaminomethylene)-5-(2-methoxyphenyl)fu...) Show SMILES COc1ccccc1-c1cc(N)c(o1)C(=O)NC(N)=N Show InChI InChI=1S/C13H14N4O3/c1-19-9-5-3-2-4-7(9)10-6-8(14)11(20-10)12(18)17-13(15)16/h2-6H,14H2,1H3,(H4,15,16,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201457 (3-amino-5-(3-chlorophenyl)-N-(diaminomethylene)fur...) Show SMILES NC(=N)NC(=O)c1oc(cc1N)-c1cccc(Cl)c1 Show InChI InChI=1S/C12H11ClN4O2/c13-7-3-1-2-6(4-7)9-5-8(14)10(19-9)11(18)17-12(15)16/h1-5H,14H2,(H4,15,16,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201466 (5-(3-chlorophenyl)-N-(diaminomethylene)-3-ethylfur...) Show SMILES CCc1cc(oc1C(=O)NC(N)=N)-c1cccc(Cl)c1 Show InChI InChI=1S/C14H14ClN3O2/c1-2-8-7-11(9-4-3-5-10(15)6-9)20-12(8)13(19)18-14(16)17/h3-7H,2H2,1H3,(H4,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201459 (3-amino-N-(diaminomethylene)-5-o-tolylfuran-2-carb...) Show SMILES Cc1ccccc1-c1cc(N)c(o1)C(=O)NC(N)=N Show InChI InChI=1S/C13H14N4O2/c1-7-4-2-3-5-8(7)10-6-9(14)11(19-10)12(18)17-13(15)16/h2-6H,14H2,1H3,(H4,15,16,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201442 (3-amino-N-(diaminomethylene)-5-(2,5-difluorophenyl...) Show SMILES NC(=N)NC(=O)c1oc(cc1N)-c1cc(F)ccc1F Show InChI InChI=1S/C12H10F2N4O2/c13-5-1-2-7(14)6(3-5)9-4-8(15)10(20-9)11(19)18-12(16)17/h1-4H,15H2,(H4,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201458 (CHEMBL392311 | N-(diaminomethylene)-5-(2,5-dichlor...) Show SMILES NC(=N)NC(=O)c1oc(cc1N1CCCCC1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C17H18Cl2N4O2/c18-10-4-5-12(19)11(8-10)14-9-13(23-6-2-1-3-7-23)15(25-14)16(24)22-17(20)21/h4-5,8-9H,1-3,6-7H2,(H4,20,21,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201444 (3-amino-N-(diaminomethylene)-5-(3-fluorophenyl)fur...) Show SMILES NC(=N)NC(=O)c1oc(cc1N)-c1cccc(F)c1 Show InChI InChI=1S/C12H11FN4O2/c13-7-3-1-2-6(4-7)9-5-8(14)10(19-9)11(18)17-12(15)16/h1-5H,14H2,(H4,15,16,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201475 (3-amino-N-(diaminomethylene)-5-m-tolylfuran-2-carb...) Show SMILES Cc1cccc(c1)-c1cc(N)c(o1)C(=O)NC(N)=N Show InChI InChI=1S/C13H14N4O2/c1-7-3-2-4-8(5-7)10-6-9(14)11(19-10)12(18)17-13(15)16/h2-6H,14H2,1H3,(H4,15,16,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201463 (5-(3-chlorophenyl)-N-(diaminomethylene)-3-(methyla...) Show SMILES CNc1cc(oc1C(=O)NC(N)=N)-c1cccc(Cl)c1 Show InChI InChI=1S/C13H13ClN4O2/c1-17-9-6-10(7-3-2-4-8(14)5-7)20-11(9)12(19)18-13(15)16/h2-6,17H,1H3,(H4,15,16,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201453 (CHEMBL396616 | N-(diaminomethylene)-3-(methylamino...) Show SMILES CNc1cc(oc1C(=O)NC(N)=N)-c1ccccc1 Show InChI InChI=1S/C13H14N4O2/c1-16-9-7-10(8-5-3-2-4-6-8)19-11(9)12(18)17-13(14)15/h2-7,16H,1H3,(H4,14,15,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					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	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201476 (3-amino-N-(diaminomethylene)-5-(2-fluorophenyl)fur...) Show SMILES NC(=N)NC(=O)c1oc(cc1N)-c1ccccc1F Show InChI InChI=1S/C12H11FN4O2/c13-7-4-2-1-3-6(7)9-5-8(14)10(19-9)11(18)17-12(15)16/h1-5H,14H2,(H4,15,16,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201451 (3-amino-N-(diaminomethylene)-5-phenylfuran-2-carbo...) Show SMILES NC(=N)NC(=O)c1oc(cc1N)-c1ccccc1 Show InChI InChI=1S/C12H12N4O2/c13-8-6-9(7-4-2-1-3-5-7)18-10(8)11(17)16-12(14)15/h1-6H,13H2,(H4,14,15,16,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201474 (5-(3-chlorophenyl)-N-(diaminomethylene)-3-(1H-pyrr...) Show SMILES NC(=N)NC(=O)c1oc(cc1-n1cccc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C16H13ClN4O2/c17-11-5-3-4-10(8-11)13-9-12(21-6-1-2-7-21)14(23-13)15(22)20-16(18)19/h1-9H,(H4,18,19,20,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201455 (3-acetamido-5-(5-chloro-2-methoxyphenyl)-N-(diamin...) Show SMILES COc1ccc(Cl)cc1-c1cc(NC(C)=O)c(o1)C(=O)NC(N)=N Show InChI InChI=1S/C15H15ClN4O4/c1-7(21)19-10-6-12(24-13(10)14(22)20-15(17)18)9-5-8(16)3-4-11(9)23-2/h3-6H,1-2H3,(H,19,21)(H4,17,18,20,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201467 (5-(3-chlorophenyl)-N-(diaminomethylene)-3-(pyrroli...) Show SMILES NC(=N)NC(=O)c1oc(cc1N1CCCC1)-c1cccc(Cl)c1 Show InChI InChI=1S/C16H17ClN4O2/c17-11-5-3-4-10(8-11)13-9-12(21-6-1-2-7-21)14(23-13)15(22)20-16(18)19/h3-5,8-9H,1-2,6-7H2,(H4,18,19,20,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201469 (5-(5-chloro-2-methoxyphenyl)-N-(diaminomethylene)-...) Show SMILES COc1ccc(Cl)cc1-c1cc(c(o1)C(=O)NC(N)=N)-c1ccccc1 Show InChI InChI=1S/C19H16ClN3O3/c1-25-15-8-7-12(20)9-14(15)16-10-13(11-5-3-2-4-6-11)17(26-16)18(24)23-19(21)22/h2-10H,1H3,(H4,21,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201471 (3-acetamido-N-(diaminomethylene)-5-(2,5-dichloroph...) Show SMILES CC(=O)Nc1cc(oc1C(=O)NC(N)=N)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C14H12Cl2N4O3/c1-6(21)19-10-5-11(8-4-7(15)2-3-9(8)16)23-12(10)13(22)20-14(17)18/h2-5H,1H3,(H,19,21)(H4,17,18,20,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201445 (3-acetamido-N-(diaminomethylene)-5-phenylfuran-2-c...) Show SMILES CC(=O)Nc1cc(oc1C(=O)NC(N)=N)-c1ccccc1 Show InChI InChI=1S/C14H14N4O3/c1-8(19)17-10-7-11(9-5-3-2-4-6-9)21-12(10)13(20)18-14(15)16/h2-7H,1H3,(H,17,19)(H4,15,16,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201477 (3-acetamido-5-(3-chlorophenyl)-N-(diaminomethylene...) Show SMILES CC(=O)Nc1cc(oc1C(=O)NC(N)=N)-c1cccc(Cl)c1 Show InChI InChI=1S/C14H13ClN4O3/c1-7(20)18-10-6-11(8-3-2-4-9(15)5-8)22-12(10)13(21)19-14(16)17/h2-6H,1H3,(H,18,20)(H4,16,17,19,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201468 (5-(3-chlorophenyl)-N-(diaminomethylene)-3-(piperid...) Show SMILES NC(=N)NC(=O)c1oc(cc1N1CCCCC1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H19ClN4O2/c18-12-6-4-5-11(9-12)14-10-13(22-7-2-1-3-8-22)15(24-14)16(23)21-17(19)20/h4-6,9-10H,1-3,7-8H2,(H4,19,20,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201452 (5-(3-chlorophenyl)-N-(diaminomethylene)-3-(N-methy...) Show SMILES CN(C(C)=O)c1cc(oc1C(=O)NC(N)=N)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H15ClN4O3/c1-8(21)20(2)11-7-12(9-4-3-5-10(16)6-9)23-13(11)14(22)19-15(17)18/h3-7H,1-2H3,(H4,17,18,19,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201456 (CHEMBL231982 | N-(diaminomethylene)-3-(N-methylace...) Show SMILES CN(C(C)=O)c1cc(oc1C(=O)NC(N)=N)-c1ccccc1 Show InChI InChI=1S/C15H16N4O3/c1-9(20)19(2)11-8-12(10-6-4-3-5-7-10)22-13(11)14(21)18-15(16)17/h3-8H,1-2H3,(H4,16,17,18,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201449 (CHEMBL232179 | N-(diaminomethylene)-5-(2,5-dichlor...) Show SMILES CN(C(C)=O)c1cc(oc1C(=O)NC(N)=N)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C15H14Cl2N4O3/c1-7(22)21(2)11-6-12(9-5-8(16)3-4-10(9)17)24-13(11)14(23)20-15(18)19/h3-6H,1-2H3,(H4,18,19,20,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50201473 (5-(5-chloro-2-methoxyphenyl)-N-(diaminomethylene)-...) Show SMILES COc1ccc(Cl)cc1-c1cc(N(C)C(C)=O)c(o1)C(=O)NC(N)=N Show InChI InChI=1S/C16H17ClN4O4/c1-8(22)21(2)11-7-13(25-14(11)15(23)20-16(18)19)10-6-9(17)4-5-12(10)24-3/h4-7H,1-3H3,(H4,18,19,20,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human NHE1 expressed in PS120 cells				Bioorg Med Chem Lett 17: 1291-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.012 BindingDB Entry DOI: 10.7270/Q2MW2GS1
					More data for this Ligand-Target Pair