Compile Data Set for Download or QSAR

Found 96 hits Enz. Inhib. hit(s) with all data for entry = 50035854   

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
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50368001 (CHEMBL1203503) Show SMILES Oc1ccc(cc1O)-c1csc(NC(=N)NCc2ccccc2)n1 Show InChI InChI=1S/C17H16N4O2S/c18-16(19-9-11-4-2-1-3-5-11)21-17-20-13(10-24-17)12-6-7-14(22)15(23)8-12/h1-8,10,22-23H,9H2,(H3,18,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50013329 (CHEMBL357729 | N-[4-(5-Chloro-1H-indol-3-yl)-5-met...) Show SMILES Cc1sc(N=C(N)N)nc1-c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C13H12ClN5S/c1-6-11(18-13(20-6)19-12(15)16)9-5-17-10-3-2-7(14)4-8(9)10/h2-5,17H,1H3,(H4,15,16,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50013302 (CHEMBL2448018 | N-[4-(5-Chloro-2-methyl-1H-indol-3...) Show SMILES Cl.Cl.Cc1[nH]c2ccc(Cl)cc2c1-c1nc(N=C(N)N)sc1C |(9.85,-26.3,;14.1,-28,;13.16,-19.5,;14.63,-20.02,;15.89,-19.11,;17.11,-20.05,;18.63,-19.76,;19.63,-20.91,;19.13,-22.37,;20.15,-23.53,;17.63,-22.66,;16.62,-21.5,;15.08,-21.47,;13.84,-22.4,;12.37,-21.95,;11.5,-23.23,;9.95,-23.24,;8.4,-23.24,;7.63,-21.89,;7.61,-24.59,;12.42,-24.46,;13.87,-23.95,;15.14,-24.82,)| Show InChI InChI=1S/C14H14ClN5S.2ClH/c1-6-11(9-5-8(15)3-4-10(9)18-6)12-7(2)21-14(19-12)20-13(16)17;;/h3-5,18H,1-2H3,(H4,16,17,19,20);2*1H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50013299 (CHEMBL150906 | N-Benzyl-N'-[4-(5-chloro-1H-indol-3...) Show SMILES Cc1sc(N=C(N)NCc2ccccc2)nc1-c1c[nH]c2ccc(Cl)cc12 |w:4.3| Show InChI InChI=1S/C20H18ClN5S/c1-12-18(16-11-23-17-8-7-14(21)9-15(16)17)25-20(27-12)26-19(22)24-10-13-5-3-2-4-6-13/h2-9,11,23H,10H2,1H3,(H3,22,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367994 (CHEMBL1203519) Show SMILES NC(NCc1ccccc1)=Nc1nc(cs1)-c1c[nH]c2ccc(Br)cc12 |w:10.11| Show InChI InChI=1S/C19H16BrN5S/c20-13-6-7-16-14(8-13)15(10-22-16)17-11-26-19(24-17)25-18(21)23-9-12-4-2-1-3-5-12/h1-8,10-11,22H,9H2,(H3,21,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50013269 (CHEMBL2448019 | N-[4-(5-Chloro-1H-indol-3-yl)-thia...) Show SMILES Cl.NC(=N)Nc1nc(cs1)-c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C12H10ClN5S.ClH/c13-6-1-2-9-7(3-6)8(4-16-9)10-5-19-12(17-10)18-11(14)15;/h1-5,16H,(H4,14,15,17,18);1H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description The compound was tested in vivo for inhibition of gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50013267 (CHEMBL2448017 | N-Benzyl-N'-[4-(5-chloro-1H-indol-...) Show SMILES Cl.Clc1ccc2[nH]cc(-c3csc(NC(=N)NCc4ccccc4)n3)c2c1 Show InChI InChI=1S/C19H16ClN5S.ClH/c20-13-6-7-16-14(8-13)15(10-22-16)17-11-26-19(24-17)25-18(21)23-9-12-4-2-1-3-5-12;/h1-8,10-11,22H,9H2,(H3,21,23,24,25);1H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367987 (CHEMBL1203532) Show SMILES Cc1ccc2[nH]cc(-c3csc(N=C(N)NCc4ccccc4)n3)c2c1 |w:12.11| Show InChI InChI=1S/C20H19N5S/c1-13-7-8-17-15(9-13)16(11-22-17)18-12-26-20(24-18)25-19(21)23-10-14-5-3-2-4-6-14/h2-9,11-12,22H,10H2,1H3,(H3,21,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367978 (CHEMBL1203520) Show SMILES NC(=N)Nc1nc(cs1)-c1c[nH]c2ccc(Br)cc12 Show InChI InChI=1S/C12H10BrN5S/c13-6-1-2-9-7(3-6)8(4-16-9)10-5-19-12(17-10)18-11(14)15/h1-5,16H,(H4,14,15,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50013279 (CHEMBL153567 | N-[5-Methyl-4-(5-methyl-1H-pyrrol-3...) Show SMILES Cc1cc(c[nH]1)-c1nc(N=C(N)N)sc1C Show InChI InChI=1S/C10H13N5S/c1-5-3-7(4-13-5)8-6(2)16-10(14-8)15-9(11)12/h3-4,13H,1-2H3,(H4,11,12,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367964 (CHEMBL1203512) Show SMILES Cc1[nH]ccc1-c1nc(N=C(N)N)sc1C |(1.49,-2.06,;.77,-1.06,;1.25,.4,;,1.31,;-1.25,.4,;-.77,-1.06,;-1.68,-2.31,;-1.07,-3.71,;-2.24,-4.71,;-2.12,-6.24,;-3.4,-7.11,;-3.3,-8.34,;-4.51,-6.58,;-3.55,-3.9,;-3.19,-2.41,;-3.99,-1.46,)| Show InChI InChI=1S/C10H13N5S/c1-5-7(3-4-13-5)8-6(2)16-10(14-8)15-9(11)12/h3-4,13H,1-2H3,(H4,11,12,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description The compound was tested in vivo for inhibition of gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367961 (CHEMBL1203526) Show SMILES Cc1cccc2c(c[nH]c12)-c1csc(N=C(N)NCc2ccccc2)n1 |w:14.15| Show InChI InChI=1S/C20H19N5S/c1-13-6-5-9-15-16(11-22-18(13)15)17-12-26-20(24-17)25-19(21)23-10-14-7-3-2-4-8-14/h2-9,11-12,22H,10H2,1H3,(H3,21,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50013305 (CHEMBL2448020 | N-Benzyl-N'-[4-(5-chloro-2-methyl-...) Show SMILES Cl.Cl.Cc1[nH]c2ccc(Cl)cc2c1-c1nc(NC(=N)NCc2ccccc2)sc1C |(10.5,-5.2,;14.55,-5,;14.21,3.17,;15.67,2.66,;16.94,3.55,;18.16,2.62,;19.66,2.91,;20.65,1.77,;20.15,.31,;21.17,-.85,;18.66,.02,;17.65,1.18,;16.12,1.21,;14.88,.28,;13.44,.73,;12.56,-.55,;11.02,-.56,;9.48,-.56,;8.7,.79,;8.68,-1.9,;7.14,-1.9,;6.37,-3.22,;4.83,-3.21,;4.06,-4.54,;4.83,-5.89,;6.37,-5.89,;7.14,-4.54,;13.47,-1.77,;14.91,-1.26,;16.19,-2.13,)| Show InChI InChI=1S/C21H20ClN5S.2ClH/c1-12-18(16-10-15(22)8-9-17(16)25-12)19-13(2)28-21(26-19)27-20(23)24-11-14-6-4-3-5-7-14;;/h3-10,25H,11H2,1-2H3,(H3,23,24,26,27);2*1H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50013279 (CHEMBL153567 | N-[5-Methyl-4-(5-methyl-1H-pyrrol-3...) Show SMILES Cc1cc(c[nH]1)-c1nc(N=C(N)N)sc1C Show InChI InChI=1S/C10H13N5S/c1-5-3-7(4-13-5)8-6(2)16-10(14-8)15-9(11)12/h3-4,13H,1-2H3,(H4,11,12,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367990 (CHEMBL1203530) Show SMILES NC(=N)Nc1nc(cs1)-c1c[nH]c2ccc(OCc3ccccc3)cc12 Show InChI InChI=1S/C19H17N5OS/c20-18(21)24-19-23-17(11-26-19)15-9-22-16-7-6-13(8-14(15)16)25-10-12-4-2-1-3-5-12/h1-9,11,22H,10H2,(H4,20,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50013261 (CHEMBL153322 | N-Benzyl-N'-[4-(3,4-dihydroxy-pheny...) Show SMILES Cc1sc(N=C(N)NCc2ccccc2)nc1-c1ccc(O)c(O)c1 |w:4.3| Show InChI InChI=1S/C18H18N4O2S/c1-11-16(13-7-8-14(23)15(24)9-13)21-18(25-11)22-17(19)20-10-12-5-3-2-4-6-12/h2-9,23-24H,10H2,1H3,(H3,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367964 (CHEMBL1203512) Show SMILES Cc1[nH]ccc1-c1nc(N=C(N)N)sc1C |(1.49,-2.06,;.77,-1.06,;1.25,.4,;,1.31,;-1.25,.4,;-.77,-1.06,;-1.68,-2.31,;-1.07,-3.71,;-2.24,-4.71,;-2.12,-6.24,;-3.4,-7.11,;-3.3,-8.34,;-4.51,-6.58,;-3.55,-3.9,;-3.19,-2.41,;-3.99,-1.46,)| Show InChI InChI=1S/C10H13N5S/c1-5-7(3-4-13-5)8-6(2)16-10(14-8)15-9(11)12/h3-4,13H,1-2H3,(H4,11,12,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367973 (CHEMBL1203522) Show SMILES N=C(NCc1ccccc1)Nc1nc(cs1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C19H17N5S/c20-18(22-10-13-6-2-1-3-7-13)24-19-23-17(12-25-19)15-11-21-16-9-5-4-8-14(15)16/h1-9,11-12,21H,10H2,(H3,20,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50368015 (CHEMBL1203506) Show SMILES NC(=N)Nc1nc(cs1)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C10H10N4O2S/c11-9(12)14-10-13-6(4-17-10)5-1-2-7(15)8(16)3-5/h1-4,15-16H,(H4,11,12,13,14)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367981 (CHEMBL1203478) Show SMILES Cc1ccc2c(c[nH]c2c1)-c1csc(N=C(N)NCc2ccccc2)n1 |w:14.15| Show InChI InChI=1S/C20H19N5S/c1-13-7-8-15-16(11-22-17(15)9-13)18-12-26-20(24-18)25-19(21)23-10-14-5-3-2-4-6-14/h2-9,11-12,22H,10H2,1H3,(H3,21,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367982 (CHEMBL1203531) Show SMILES Cc1ccc2c(c[nH]c2c1)-c1csc(N=C(N)N)n1 |(-3.45,1.38,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;2.24,-2.7,;3.66,-3.26,;3.55,-4.79,;2.05,-5.16,;1.47,-6.58,;-.06,-6.79,;-.53,-7.93,;-.81,-5.81,;1.24,-3.85,)| Show InChI InChI=1S/C13H13N5S/c1-7-2-3-8-9(5-16-10(8)4-7)11-6-19-13(17-11)18-12(14)15/h2-6,16H,1H3,(H4,14,15,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Pfizer Inc. Curated by ChEMBL					Assay Description The compound was tested in vivo for inhibition of gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367988 (CHEMBL1202273) Show SMILES [#6]-c1sc(\[#7]=[#6](\[#7])-[#7])nc1-c1ccc(-[#8])c(-[#8])c1 Show InChI InChI=1S/C11H12N4O2S/c1-5-9(14-11(18-5)15-10(12)13)6-2-3-7(16)8(17)4-6/h2-4,16-17H,1H3,(H4,12,13,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367997 (CHEMBL1203525) Show SMILES Cc1[nH]c2ccccc2c1-c1csc(N=C(N)NCc2ccccc2)n1 |w:14.15| Show InChI InChI=1S/C20H19N5S/c1-13-18(15-9-5-6-10-16(15)23-13)17-12-26-20(24-17)25-19(21)22-11-14-7-3-2-4-8-14/h2-10,12,23H,11H2,1H3,(H3,21,22,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367977 (CHEMBL1203533) Show SMILES Cc1ccc2[nH]cc(-c3csc(N=C(N)N)n3)c2c1 |(-3.46,1.39,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;1.42,4,;2.41,5.18,;3.84,4.6,;5.15,5.41,;6.52,4.68,;7.57,5.33,;6.56,3.45,;3.73,3.06,;.3,.77,;-1.03,1.56,)| Show InChI InChI=1S/C13H13N5S/c1-7-2-3-10-8(4-7)9(5-16-10)11-6-19-13(17-11)18-12(14)15/h2-6,16H,1H3,(H4,14,15,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50013269 (CHEMBL2448019 | N-[4-(5-Chloro-1H-indol-3-yl)-thia...) Show SMILES Cl.NC(=N)Nc1nc(cs1)-c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C12H10ClN5S.ClH/c13-6-1-2-9-7(3-6)8(4-16-9)10-5-19-12(17-10)18-11(14)15;/h1-5,16H,(H4,14,15,17,18);1H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50368030 (CHEMBL1203529) Show SMILES N=C(NCc1ccccc1)Nc1nc(cs1)-c1c[nH]c2ccc(OCc3ccccc3)cc12 Show InChI InChI=1S/C26H23N5OS/c27-25(29-14-18-7-3-1-4-8-18)31-26-30-24(17-33-26)22-15-28-23-12-11-20(13-21(22)23)32-16-19-9-5-2-6-10-19/h1-13,15,17,28H,14,16H2,(H3,27,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367996 (CHEMBL1203482) Show SMILES [#6]-c1c(ccn1S(=O)(=O)c1ccccc1)-c1csc(\[#7]=[#6](\[#7])-[#7])n1 Show InChI InChI=1S/C15H15N5O2S2/c1-10-12(13-9-23-15(18-13)19-14(16)17)7-8-20(10)24(21,22)11-5-3-2-4-6-11/h2-9H,1H3,(H4,16,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50368022 (CHEMBL1203492) Show SMILES [#6]-c1cc(cn1S(=O)(=O)c1ccccc1)-c1csc(\[#7]=[#6](\[#7])-[#7])n1 Show InChI InChI=1S/C15H15N5O2S2/c1-10-7-11(13-9-23-15(18-13)19-14(16)17)8-20(10)24(21,22)12-5-3-2-4-6-12/h2-9H,1H3,(H4,16,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367963 (CHEMBL1202282) Show SMILES COc1ccccc1-c1csc(N=C(N)NCc2ccccc2)n1 |w:12.12| Show InChI InChI=1S/C18H18N4OS/c1-23-16-10-6-5-9-14(16)15-12-24-18(21-15)22-17(19)20-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H3,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367965 (CHEMBL1203469) Show SMILES NC(NCc1ccccc1)=Nc1nc(cs1)-c1c[nH]c2ccc(F)cc12 |w:10.11| Show InChI InChI=1S/C19H16FN5S/c20-13-6-7-16-14(8-13)15(10-22-16)17-11-26-19(24-17)25-18(21)23-9-12-4-2-1-3-5-12/h1-8,10-11,22H,9H2,(H3,21,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50368010 (CHEMBL1203501) Show SMILES Cc1cc(c[nH]1)-c1nc(NC(N)=NCc2ccc(C)cc2)sc1C |w:12.13| Show InChI InChI=1S/C18H21N5S/c1-11-4-6-14(7-5-11)9-21-17(19)23-18-22-16(13(3)24-18)15-8-12(2)20-10-15/h4-8,10,20H,9H2,1-3H3,(H3,19,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367972 (CHEMBL1203474) Show SMILES COC(=O)c1ccc2[nH]cc(-c3csc(N=C(N)NCc4ccccc4)n3)c2c1 |w:15.14| Show InChI InChI=1S/C21H19N5O2S/c1-28-19(27)14-7-8-17-15(9-14)16(11-23-17)18-12-29-21(25-18)26-20(22)24-10-13-5-3-2-4-6-13/h2-9,11-12,23H,10H2,1H3,(H3,22,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50013248 (CHEMBL152894 | N-Benzyl-N'-[4-(4-methyl-1H-indol-3...) Show SMILES Cc1cccc2[nH]cc(-c3csc(N=C(N)NCc4ccccc4)n3)c12 |w:13.12| Show InChI InChI=1S/C20H19N5S/c1-13-6-5-9-16-18(13)15(11-22-16)17-12-26-20(24-17)25-19(21)23-10-14-7-3-2-4-8-14/h2-9,11-12,22H,10H2,1H3,(H3,21,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367970 (CHEMBL1203508) Show SMILES NC(=N)Nc1nc(cs1)-c1cc2cc(F)ccc2[nH]1 Show InChI InChI=1S/C12H10FN5S/c13-7-1-2-8-6(3-7)4-9(16-8)10-5-19-12(17-10)18-11(14)15/h1-5,16H,(H4,14,15,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367969 (CHEMBL1202274) Show SMILES [#6]-c1sc(\[#7]=[#6](\[#7])-[#7])nc1-c1ccn(c1-[#6])S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H17N5O2S2/c1-10-13(14-11(2)24-16(19-14)20-15(17)18)8-9-21(10)25(22,23)12-6-4-3-5-7-12/h3-9H,1-2H3,(H4,17,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367995 (CHEMBL1203483) Show SMILES COc1ccc2[nH]cc(-c3csc(N=C(N)NCc4ccccc4)n3)c2c1 |w:13.12| Show InChI InChI=1S/C20H19N5OS/c1-26-14-7-8-17-15(9-14)16(11-22-17)18-12-27-20(24-18)25-19(21)23-10-13-5-3-2-4-6-13/h2-9,11-12,22H,10H2,1H3,(H3,21,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50368023 (CHEMBL1203510) Show SMILES Nc1ccc(cc1)-c1csc(NC(=N)NCc2ccccc2)n1 Show InChI InChI=1S/C17H17N5S/c18-14-8-6-13(7-9-14)15-11-23-17(21-15)22-16(19)20-10-12-4-2-1-3-5-12/h1-9,11H,10,18H2,(H3,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50368026 (CHEMBL1203470) Show SMILES Cc1[nH]c2ccccc2c1-c1nc(N=C(N)NCc2ccccc2)sc1C |w:13.14,(3.89,.03,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;1.24,-3.85,;2.05,-5.16,;1.47,-6.58,;2.42,-7.8,;3.64,-7.63,;1.84,-9.23,;2.78,-10.44,;2.2,-11.87,;3.15,-13.09,;2.56,-14.52,;1.04,-14.72,;.1,-13.51,;.68,-12.08,;3.55,-4.79,;3.66,-3.26,;4.7,-2.6,)| Show InChI InChI=1S/C21H21N5S/c1-13-18(16-10-6-7-11-17(16)24-13)19-14(2)27-21(25-19)26-20(22)23-12-15-8-4-3-5-9-15/h3-11,24H,12H2,1-2H3,(H3,22,23,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity of gastric proton-pump enzyme H+/K+ ATPase was determined at 50 uM				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50013316 (CHEMBL422329 | N-(6-Chloro-2-phenyl-pyrimidin-4-yl...) Show SMILES NC(N)=Nc1cc(Cl)nc(n1)-c1ccccc1 Show InChI InChI=1S/C11H10ClN5/c12-8-6-9(17-11(13)14)16-10(15-8)7-4-2-1-3-5-7/h1-6H,(H4,13,14,15,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50368012 (CHEMBL1744198) Show SMILES Cc1[nH]ccc1-c1csc(N=C(N)NCc2ccccc2)n1 |w:10.10| Show InChI InChI=1S/C16H17N5S/c1-11-13(7-8-18-11)14-10-22-16(20-14)21-15(17)19-9-12-5-3-2-4-6-12/h2-8,10,18H,9H2,1H3,(H3,17,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50368019 (CHEMBL1202262) Show SMILES NC(NCc1ccccc1)=Nc1nc(cs1)-c1ccccc1Cl |w:10.11| Show InChI InChI=1S/C17H15ClN4S/c18-14-9-5-4-8-13(14)15-11-23-17(21-15)22-16(19)20-10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H3,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50368005 (CHEMBL1203472) Show SMILES Cc1[nH]c2ccccc2c1-c1nc(N=C(N)N)sc1C |(3.9,.03,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.56,;-2.38,.77,;-2.38,-.77,;-1.03,-1.56,;.3,-.77,;1.76,-1.24,;2.25,-2.7,;1.24,-3.86,;2.06,-5.17,;1.47,-6.6,;2.42,-7.82,;1.96,-8.96,;3.65,-7.65,;3.55,-4.8,;3.67,-3.26,;4.71,-2.61,)| Show InChI InChI=1S/C14H15N5S/c1-7-11(9-5-3-4-6-10(9)17-7)12-8(2)20-14(18-12)19-13(15)16/h3-6,17H,1-2H3,(H4,15,16,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity of gastric proton-pump enzyme H+/K+ ATPase was determined at 50 uM				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50368007 (CHEMBL1203475) Show SMILES COC(=O)c1ccc2[nH]cc(-c3csc(N=C(N)N)n3)c2c1 |(-4.79,3.68,;-3.72,3.07,;-3.72,1.53,;-4.78,.91,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;1.41,3.98,;2.4,5.16,;3.83,4.58,;5.14,5.39,;6.5,4.67,;7.54,5.32,;6.54,3.44,;3.72,3.05,;.3,.77,;-1.03,1.55,)| Show InChI InChI=1S/C14H13N5O2S/c1-21-12(20)7-2-3-10-8(4-7)9(5-17-10)11-6-22-14(18-11)19-13(15)16/h2-6,17H,1H3,(H4,15,16,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50013330 (CHEMBL153461 | N-(4-Chloro-benzyl)-N'-[4-(5-methyl...) Show SMILES Cc1cc(c[nH]1)-c1csc(N=C(N)NCc2ccc(Cl)cc2)n1 |w:10.10| Show InChI InChI=1S/C16H16ClN5S/c1-10-6-12(8-19-10)14-9-23-16(21-14)22-15(18)20-7-11-2-4-13(17)5-3-11/h2-6,8-9,19H,7H2,1H3,(H3,18,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50013309 (CHEMBL153055 | N-Benzyl-N'-[4-(5-methyl-1H-pyrrol-...) Show SMILES Cc1ccc([nH]1)-c1csc(N=C(N)NCc2ccccc2)n1 |w:10.10| Show InChI InChI=1S/C16H17N5S/c1-11-7-8-13(19-11)14-10-22-16(20-14)21-15(17)18-9-12-5-3-2-4-6-12/h2-8,10,19H,9H2,1H3,(H3,17,18,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50013280 (5-(2-Guanidino-thiazol-4-yl)-2-methyl-1H-pyrrole-3...) Show SMILES CCOC(=O)c1cc([nH]c1C)-c1csc(N=C(N)N)n1 Show InChI InChI=1S/C12H15N5O2S/c1-3-19-10(18)7-4-8(15-6(7)2)9-5-20-12(16-9)17-11(13)14/h4-5,15H,3H2,1-2H3,(H4,13,14,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50368014 (CHEMBL1744200) Show SMILES Cc1[nH]ccc1-c1csc(N=C(N)N)n1 Show InChI InChI=1S/C9H11N5S/c1-5-6(2-3-12-5)7-4-15-9(13-7)14-8(10)11/h2-4,12H,1H3,(H4,10,11,13,14)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50368017 (CHEMBL1203488) Show SMILES [#6]-c1ccc(-c2csc(\[#7]=[#6](\[#7])-[#7])n2)n1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C15H15N5O2S2/c1-10-7-8-13(12-9-23-15(18-12)19-14(16)17)20(10)24(21,22)11-5-3-2-4-6-11/h2-9H,1H3,(H4,16,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50013284 (CHEMBL153222 | N-Hexyl-N'-[4-(5-methyl-1H-pyrrol-3...) Show SMILES CCCCCCNC(N)=Nc1nc(cs1)-c1c[nH]c(C)c1 |w:9.9| Show InChI InChI=1S/C15H23N5S/c1-3-4-5-6-7-17-14(16)20-15-19-13(10-21-15)12-8-11(2)18-9-12/h8-10,18H,3-7H2,1-2H3,(H3,16,17,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367959 (CHEMBL1203518) Show SMILES NC(=N)Nc1nc(cs1)-c1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C12H10FN5S/c13-6-1-2-9-7(3-6)8(4-16-9)10-5-19-12(17-10)18-11(14)15/h1-5,16H,(H4,14,15,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase				J Med Chem 33: 543-52 (1990) BindingDB Entry DOI: 10.7270/Q2K35V79
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 96 total )  |  Next  |  Last  >>

Jump to: