Compile Data Set for Download or QSAR

Found 172 hits with Last Name = 'holt' and Initial = 'wf'   

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
Renin (Homo sapiens (Human))	BDBM50403370 (CHEMBL2052021 | CP-71362) Show SMILES CC(C)C[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C51H76N8O9/c1-33(2)25-37(45(61)55-39(23-15-16-24-52)46(62)58-43(49(65)66)28-36-21-13-8-14-22-36)29-44(60)40(26-34-17-9-6-10-18-34)56-48(64)42(30-38-31-53-32-54-38)57-47(63)41(27-35-19-11-7-12-20-35)59-50(67)68-51(3,4)5/h7-8,11-14,19-22,31-34,37,39-44,60H,6,9-10,15-18,23-30,52H2,1-5H3,(H,53,54)(H,55,61)(H,56,64)(H,57,63)(H,58,62)(H,59,67)(H,65,66)/t37-,39+,40+,41+,42+,43+,44+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against dog plasma renin				Bioorg Med Chem Lett 4: 589-592 (1994) Article DOI: 10.1016/S0960-894X(01)80160-8 BindingDB Entry DOI: 10.7270/Q2KD1XVS
					More data for this Ligand-Target Pair
Renin (Rattus norvegicus)	BDBM50403370 (CHEMBL2052021 | CP-71362) Show SMILES CC(C)C[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C51H76N8O9/c1-33(2)25-37(45(61)55-39(23-15-16-24-52)46(62)58-43(49(65)66)28-36-21-13-8-14-22-36)29-44(60)40(26-34-17-9-6-10-18-34)56-48(64)42(30-38-31-53-32-54-38)57-47(63)41(27-35-19-11-7-12-20-35)59-50(67)68-51(3,4)5/h7-8,11-14,19-22,31-34,37,39-44,60H,6,9-10,15-18,23-30,52H2,1-5H3,(H,53,54)(H,55,61)(H,56,64)(H,57,63)(H,58,62)(H,59,67)(H,65,66)/t37-,39+,40+,41+,42+,43+,44+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Rat plasma renin				Bioorg Med Chem Lett 4: 589-592 (1994) Article DOI: 10.1016/S0960-894X(01)80160-8 BindingDB Entry DOI: 10.7270/Q2KD1XVS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50403370 (CHEMBL2052021 | CP-71362) Show SMILES CC(C)C[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C51H76N8O9/c1-33(2)25-37(45(61)55-39(23-15-16-24-52)46(62)58-43(49(65)66)28-36-21-13-8-14-22-36)29-44(60)40(26-34-17-9-6-10-18-34)56-48(64)42(30-38-31-53-32-54-38)57-47(63)41(27-35-19-11-7-12-20-35)59-50(67)68-51(3,4)5/h7-8,11-14,19-22,31-34,37,39-44,60H,6,9-10,15-18,23-30,52H2,1-5H3,(H,53,54)(H,55,61)(H,56,64)(H,57,63)(H,58,62)(H,59,67)(H,65,66)/t37-,39+,40+,41+,42+,43+,44+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against human plasma renin				Bioorg Med Chem Lett 4: 589-592 (1994) Article DOI: 10.1016/S0960-894X(01)80160-8 BindingDB Entry DOI: 10.7270/Q2KD1XVS
					More data for this Ligand-Target Pair
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
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50107034 (CHEMBL108347 | N-(4-Butoxy-benzoyl)-N'-(4-phenyl-b...) Show SMILES CCCCOc1ccc(cc1)C(=O)NC(N)=NCCCCc1ccccc1 |w:16.17| Show InChI InChI=1S/C22H29N3O2/c1-2-3-17-27-20-14-12-19(13-15-20)21(26)25-22(23)24-16-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,12-15H,2-3,7-8,11,16-17H2,1H3,(H3,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing human cardiac (hHI) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					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
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50107034 (CHEMBL108347 | N-(4-Butoxy-benzoyl)-N'-(4-phenyl-b...) Show SMILES CCCCOc1ccc(cc1)C(=O)NC(N)=NCCCCc1ccccc1 |w:16.17| Show InChI InChI=1S/C22H29N3O2/c1-2-3-17-27-20-14-12-19(13-15-20)21(26)25-22(23)24-16-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,12-15H,2-3,7-8,11,16-17H2,1H3,(H3,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					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))	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))	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))	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
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50107029 (CHEMBL108727 | N-(4-Ethoxy-benzoyl)-N'-(4-phenyl-b...) Show SMILES CCOc1ccc(cc1)C(=O)NC(N)=NCCCCc1ccccc1 |w:14.15| Show InChI InChI=1S/C20H25N3O2/c1-2-25-18-13-11-17(12-14-18)19(24)23-20(21)22-15-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,11-14H,2,6-7,10,15H2,1H3,(H3,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50107043 (CHEMBL321883 | N-(4-Methoxy-benzoyl)-N'-(4-phenyl-...) Show SMILES COc1ccc(cc1)C(=O)NC(N)=NCCCCc1ccccc1 |w:13.14| Show InChI InChI=1S/C19H23N3O2/c1-24-17-12-10-16(11-13-17)18(23)22-19(20)21-14-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H3,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50107032 (CHEMBL110572 | N-(Naphthalene-1-carbonyl)-N'-(4-ph...) Show SMILES NC(NC(=O)c1cccc2ccccc12)=NCCCCc1ccccc1 |w:15.17| Show InChI InChI=1S/C22H23N3O/c23-22(24-16-7-6-11-17-9-2-1-3-10-17)25-21(26)20-15-8-13-18-12-4-5-14-19(18)20/h1-5,8-10,12-15H,6-7,11,16H2,(H3,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					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))	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))	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))	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))	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
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50107029 (CHEMBL108727 | N-(4-Ethoxy-benzoyl)-N'-(4-phenyl-b...) Show SMILES CCOc1ccc(cc1)C(=O)NC(N)=NCCCCc1ccccc1 |w:14.15| Show InChI InChI=1S/C20H25N3O2/c1-2-25-18-13-11-17(12-14-18)19(24)23-20(21)22-15-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,11-14H,2,6-7,10,15H2,1H3,(H3,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing human cardiac (hHI) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50107031 (CHEMBL108728 | N-(4-Methyl-benzoyl)-N'-(4-phenyl-b...) Show SMILES Cc1ccc(cc1)C(=O)NC(N)=NCCCCc1ccccc1 |w:12.13| Show InChI InChI=1S/C19H23N3O/c1-15-10-12-17(13-11-15)18(23)22-19(20)21-14-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H3,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					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
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50107030 (CHEMBL106459 | N-(2-Methyl-benzoyl)-N'-(4-phenyl-b...) Show SMILES Cc1ccccc1C(=O)NC(N)=NCCCCc1ccccc1 |w:12.13| Show InChI InChI=1S/C19H23N3O/c1-15-9-5-6-13-17(15)18(23)22-19(20)21-14-8-7-12-16-10-3-2-4-11-16/h2-6,9-11,13H,7-8,12,14H2,1H3,(H3,20,21,22,23)	PDB UniProtKB/SwissProt 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
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					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))	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))	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
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50107046 (CHEMBL110164 | N-(4-Phenyl-butyl)-N'-(3,4,5-trimet...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=NCCCCc1ccccc1 |w:17.18| Show InChI InChI=1S/C21H27N3O4/c1-26-17-13-16(14-18(27-2)19(17)28-3)20(25)24-21(22)23-12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H3,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50107039 (CHEMBL109012 | N-(2,3-Dichloro-benzoyl)-N'-(4-phen...) Show SMILES NC(NC(=O)c1cccc(Cl)c1Cl)=NCCCCc1ccccc1 |w:13.14| Show InChI InChI=1S/C18H19Cl2N3O/c19-15-11-6-10-14(16(15)20)17(24)23-18(21)22-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11H,4-5,9,12H2,(H3,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					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))	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
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50107046 (CHEMBL110164 | N-(4-Phenyl-butyl)-N'-(3,4,5-trimet...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=NCCCCc1ccccc1 |w:17.18| Show InChI InChI=1S/C21H27N3O4/c1-26-17-13-16(14-18(27-2)19(17)28-3)20(25)24-21(22)23-12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H3,22,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing human cardiac (hHI) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					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))	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))	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))	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
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50107030 (CHEMBL106459 | N-(2-Methyl-benzoyl)-N'-(4-phenyl-b...) Show SMILES Cc1ccccc1C(=O)NC(N)=NCCCCc1ccccc1 |w:12.13| Show InChI InChI=1S/C19H23N3O/c1-15-9-5-6-13-17(15)18(23)22-19(20)21-14-8-7-12-16-10-3-2-4-11-16/h2-6,9-11,13H,7-8,12,14H2,1H3,(H3,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing human cardiac (hHI) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50107045 (CHEMBL421032 | N-[2-(5-Methoxy-1H-indol-3-yl)-ethy...) Show SMILES COc1ccc2[nH]cc(CCN=C(N)NC(=O)c3ccc(C)cc3)c2c1 |w:11.10| Show InChI InChI=1S/C20H22N4O2/c1-13-3-5-14(6-4-13)19(25)24-20(21)22-10-9-15-12-23-18-8-7-16(26-2)11-17(15)18/h3-8,11-12,23H,9-10H2,1-2H3,(H3,21,22,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50107045 (CHEMBL421032 | N-[2-(5-Methoxy-1H-indol-3-yl)-ethy...) Show SMILES COc1ccc2[nH]cc(CCN=C(N)NC(=O)c3ccc(C)cc3)c2c1 |w:11.10| Show InChI InChI=1S/C20H22N4O2/c1-13-3-5-14(6-4-13)19(25)24-20(21)22-10-9-15-12-23-18-8-7-16(26-2)11-17(15)18/h3-8,11-12,23H,9-10H2,1-2H3,(H3,21,22,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing human cardiac (hHI) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					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))	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
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50107020 (CHEMBL105782 | N-(4-Methyl-benzoyl)-N'-(3,4,5-trim...) Show SMILES COc1cc(cc(OC)c1OC)N=C(N)NC(=O)c1ccc(C)cc1 |w:12.12| Show InChI InChI=1S/C18H21N3O4/c1-11-5-7-12(8-6-11)17(22)21-18(19)20-13-9-14(23-2)16(25-4)15(10-13)24-3/h5-10H,1-4H3,(H3,19,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50107050 (CHEMBL107394 | N-(4-Isopropyl-phenyl)-N'-(4-methyl...) Show SMILES CC(C)c1ccc(cc1)N=C(N)NC(=O)c1ccc(C)cc1 |w:9.9| Show InChI InChI=1S/C18H21N3O/c1-12(2)14-8-10-16(11-9-14)20-18(19)21-17(22)15-6-4-13(3)5-7-15/h4-12H,1-3H3,(H3,19,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50107035 (CHEMBL320332 | N-[2-(4-Chloro-phenyl)-ethyl]-N'-(4...) Show SMILES Cc1ccc(cc1)C(=O)NC(N)=NCCc1ccc(Cl)cc1 |w:12.13| Show InChI InChI=1S/C17H18ClN3O/c1-12-2-6-14(7-3-12)16(22)21-17(19)20-11-10-13-4-8-15(18)9-5-13/h2-9H,10-11H2,1H3,(H3,19,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					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
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50107025 (CHEMBL106351 | N-(4-Isopropoxy-phenyl)-N'-(4-methy...) Show SMILES CC(C)Oc1ccc(cc1)N=C(N)NC(=O)c1ccc(C)cc1 |w:10.10| Show InChI InChI=1S/C18H21N3O2/c1-12(2)23-16-10-8-15(9-11-16)20-18(19)21-17(22)14-6-4-13(3)5-7-14/h4-12H,1-3H3,(H3,19,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50107043 (CHEMBL321883 | N-(4-Methoxy-benzoyl)-N'-(4-phenyl-...) Show SMILES COc1ccc(cc1)C(=O)NC(N)=NCCCCc1ccccc1 |w:13.14| Show InChI InChI=1S/C19H23N3O2/c1-24-17-12-10-16(11-13-17)18(23)22-19(20)21-14-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H3,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
CeNeS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of sodium channel blockade in CHO cells expressing human cardiac (hHI) sodium channel				Bioorg Med Chem Lett 11: 3151-5 (2001) BindingDB Entry DOI: 10.7270/Q2PC31P4
					More data for this Ligand-Target Pair

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