Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'V-type proton ATPase subunit S1'   

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
V-type proton ATPase subunit S1 (Homo sapiens (Human))	BDBM50064186 ((3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-...) Show SMILES CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C |c:5,15,18,t:3| Show InChI InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26-,27+,28-,30-,31+,32+,33+,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham S.p.A. Curated by ChEMBL					Assay Description Compound was tested for inhibititon of V-ATPase from Chicken osteoclasts(cOc)				J Med Chem 41: 1568-73 (1998) Article DOI: 10.1021/jm9800144 BindingDB Entry DOI: 10.7270/Q2CJ8CM6
					More data for this Ligand-Target Pair
V-type proton ATPase subunit S1 (Homo sapiens (Human))	BDBM50064183 ((2E,4E)-5-(5,6-Dichloro-1H-indol-2-yl)-2-methoxy-p...) Show SMILES COC(=O)C(\OC)=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1 Show InChI InChI=1S/C15H13Cl2NO3/c1-20-14(15(19)21-2)5-3-4-10-6-9-7-11(16)12(17)8-13(9)18-10/h3-8,18H,1-2H3/b4-3+,14-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham S.p.A. Curated by ChEMBL					Assay Description Compound was tested for inhibititon of V-ATPase from Chicken osteoclasts (cOc)				J Med Chem 41: 1568-73 (1998) Article DOI: 10.1021/jm9800144 BindingDB Entry DOI: 10.7270/Q2CJ8CM6
					More data for this Ligand-Target Pair
V-type proton ATPase subunit S1 (Homo sapiens (Human))	BDBM50064441 ((2S,3R,4S)-3-Hydroxy-4-((4E,6E,12E,14Z)-(2R,3S,9S,...) Show SMILES CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)C(O)=O |c:5,15,18,t:3| Show InChI InChI=1S/C27H42O8/c1-15-10-9-11-21(33-7)25(19(5)24(29)20(6)26(30)31)35-27(32)22(34-8)14-16(2)13-18(4)23(28)17(3)12-15/h9-11,13-14,17-21,23-25,28-29H,12H2,1-8H3,(H,30,31)/b11-9+,15-10+,16-13+,22-14-/t17-,18+,19-,20-,21-,23-,24+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham SpA Curated by ChEMBL					Assay Description Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from bovine chromaffin granules (bCG).				J Med Chem 41: 1883-93 (1998) Article DOI: 10.1021/jm9707838 BindingDB Entry DOI: 10.7270/Q2TM7987
					More data for this Ligand-Target Pair
V-type proton ATPase subunit S1 (Homo sapiens (Human))	BDBM50064440 ((2S,3R,4S)-4-((4E,6E,12E,14Z)-(2R,3S,9S,11R)-3,15-...) Show SMILES CO[C@H]1\C=C\C=C(C)\C[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)C(=O)OC |c:5,15,18,t:3| Show InChI InChI=1S/C28H42O8/c1-16-11-10-12-22(33-7)26(20(5)25(30)21(6)27(31)35-9)36-28(32)23(34-8)15-17(2)14-19(4)24(29)18(3)13-16/h10-12,14-15,18-22,25-26,30H,13H2,1-9H3/b12-10+,16-11+,17-14+,23-15-/t18-,19+,20-,21-,22-,25+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham SpA Curated by ChEMBL					Assay Description Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from bovine chromaffin granules (bCG).				J Med Chem 41: 1883-93 (1998) Article DOI: 10.1021/jm9707838 BindingDB Entry DOI: 10.7270/Q2TM7987
					More data for this Ligand-Target Pair
V-type proton ATPase subunit S1 (Homo sapiens (Human))	BDBM50064438 ((2R,4R,5S,6R)-2-[(1S,2R,3S)-2-Hydroxy-3-((2R,9S,10...) Show SMILES COC1CCCC(C)C[C@H](C)[C@H](O)C(C)CC(C)CC(OC)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@]1(C[C@H]([C@H](C)[C@H](O1)C(C)C)C(=O)Oc1ccccc1)OC Show InChI InChI=1S/C43H72O10/c1-25(2)39-30(7)34(41(46)51-33-18-14-13-15-19-33)24-43(50-12,53-39)32(9)38(45)31(8)40-35(48-10)20-16-17-26(3)21-28(5)37(44)29(6)22-27(4)23-36(49-11)42(47)52-40/h13-15,18-19,25-32,34-40,44-45H,16-17,20-24H2,1-12H3/t26?,27?,28-,29?,30-,31-,32-,34+,35?,36?,37-,38+,39+,40+,43+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham SpA Curated by ChEMBL					Assay Description Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from chicken osteoclasts (cOc).				J Med Chem 41: 1883-93 (1998) Article DOI: 10.1021/jm9707838 BindingDB Entry DOI: 10.7270/Q2TM7987
					More data for this Ligand-Target Pair
V-type proton ATPase subunit S1 (Homo sapiens (Human))	BDBM50064438 ((2R,4R,5S,6R)-2-[(1S,2R,3S)-2-Hydroxy-3-((2R,9S,10...) Show SMILES COC1CCCC(C)C[C@H](C)[C@H](O)C(C)CC(C)CC(OC)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@]1(C[C@H]([C@H](C)[C@H](O1)C(C)C)C(=O)Oc1ccccc1)OC Show InChI InChI=1S/C43H72O10/c1-25(2)39-30(7)34(41(46)51-33-18-14-13-15-19-33)24-43(50-12,53-39)32(9)38(45)31(8)40-35(48-10)20-16-17-26(3)21-28(5)37(44)29(6)22-27(4)23-36(49-11)42(47)52-40/h13-15,18-19,25-32,34-40,44-45H,16-17,20-24H2,1-12H3/t26?,27?,28-,29?,30-,31-,32-,34+,35?,36?,37-,38+,39+,40+,43+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham SpA Curated by ChEMBL					Assay Description Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from bovine chromaffin granules (bCG).				J Med Chem 41: 1883-93 (1998) Article DOI: 10.1021/jm9707838 BindingDB Entry DOI: 10.7270/Q2TM7987
					More data for this Ligand-Target Pair
V-type proton ATPase subunit S1 (Homo sapiens (Human))	BDBM50064439 ((2S,3R,4S)-4-((4E,6E,12E,14Z)-(2R,3S,9S,11R)-3,15-...) Show SMILES CO[C@H]1\C=C\C=C(C)\C[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)C(O)=O |c:5,15,18,t:3| Show InChI InChI=1S/C27H40O8/c1-15-10-9-11-21(33-7)25(19(5)24(29)20(6)26(30)31)35-27(32)22(34-8)14-16(2)13-18(4)23(28)17(3)12-15/h9-11,13-14,17-21,24-25,29H,12H2,1-8H3,(H,30,31)/b11-9+,15-10+,16-13+,22-14-/t17-,18+,19-,20-,21-,24+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham SpA Curated by ChEMBL					Assay Description Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from bovine chromaffin granules (bCG).				J Med Chem 41: 1883-93 (1998) Article DOI: 10.1021/jm9707838 BindingDB Entry DOI: 10.7270/Q2TM7987
					More data for this Ligand-Target Pair
V-type proton ATPase subunit S1 (Homo sapiens (Human))	BDBM50064441 ((2S,3R,4S)-3-Hydroxy-4-((4E,6E,12E,14Z)-(2R,3S,9S,...) Show SMILES CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)C(O)=O |c:5,15,18,t:3| Show InChI InChI=1S/C27H42O8/c1-15-10-9-11-21(33-7)25(19(5)24(29)20(6)26(30)31)35-27(32)22(34-8)14-16(2)13-18(4)23(28)17(3)12-15/h9-11,13-14,17-21,23-25,28-29H,12H2,1-8H3,(H,30,31)/b11-9+,15-10+,16-13+,22-14-/t17-,18+,19-,20-,21-,23-,24+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham SpA Curated by ChEMBL					Assay Description Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from chicken osteoclasts (cOc).				J Med Chem 41: 1883-93 (1998) Article DOI: 10.1021/jm9707838 BindingDB Entry DOI: 10.7270/Q2TM7987
					More data for this Ligand-Target Pair
V-type proton ATPase subunit S1 (Homo sapiens (Human))	BDBM50064440 ((2S,3R,4S)-4-((4E,6E,12E,14Z)-(2R,3S,9S,11R)-3,15-...) Show SMILES CO[C@H]1\C=C\C=C(C)\C[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)C(=O)OC |c:5,15,18,t:3| Show InChI InChI=1S/C28H42O8/c1-16-11-10-12-22(33-7)26(20(5)25(30)21(6)27(31)35-9)36-28(32)23(34-8)15-17(2)14-19(4)24(29)18(3)13-16/h10-12,14-15,18-22,25-26,30H,13H2,1-9H3/b12-10+,16-11+,17-14+,23-15-/t18-,19+,20-,21-,22-,25+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham SpA Curated by ChEMBL					Assay Description Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from chicken osteoclasts (cOc).				J Med Chem 41: 1883-93 (1998) Article DOI: 10.1021/jm9707838 BindingDB Entry DOI: 10.7270/Q2TM7987
					More data for this Ligand-Target Pair
V-type proton ATPase subunit S1 (Homo sapiens (Human))	BDBM50064439 ((2S,3R,4S)-4-((4E,6E,12E,14Z)-(2R,3S,9S,11R)-3,15-...) Show SMILES CO[C@H]1\C=C\C=C(C)\C[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)C(O)=O |c:5,15,18,t:3| Show InChI InChI=1S/C27H40O8/c1-15-10-9-11-21(33-7)25(19(5)24(29)20(6)26(30)31)35-27(32)22(34-8)14-16(2)13-18(4)23(28)17(3)12-15/h9-11,13-14,17-21,24-25,29H,12H2,1-8H3,(H,30,31)/b11-9+,15-10+,16-13+,22-14-/t17-,18+,19-,20-,21-,24+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham SpA Curated by ChEMBL					Assay Description Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from chicken osteoclasts (cOc).				J Med Chem 41: 1883-93 (1998) Article DOI: 10.1021/jm9707838 BindingDB Entry DOI: 10.7270/Q2TM7987
					More data for this Ligand-Target Pair
V-type proton ATPase subunit S1 (Homo sapiens (Human))	BDBM50064437 (2-[3-(3,15-Dimethoxy-7,9,11,13-tetramethyl-10,16-d...) Show SMILES CO[C@H]1\C=C\C=C(C)\C[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@H]([C@H](C)[C@H](O1)C(C)C)C(=O)Oc1ccccc1 |c:5,15,18,t:3| Show InChI InChI=1S/C42H60O10/c1-24(2)38-29(7)33(40(45)50-32-17-13-12-14-18-32)23-42(47,52-38)31(9)37(44)30(8)39-34(48-10)19-15-16-25(3)20-27(5)36(43)28(6)21-26(4)22-35(49-11)41(46)51-39/h12-19,21-22,24,27-31,33-34,37-39,44,47H,20,23H2,1-11H3/b19-15+,25-16+,26-21+,35-22-/t27-,28+,29-,30-,31-,33+,34-,37+,38+,39+,42+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham SpA Curated by ChEMBL					Assay Description Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from bovine chromaffin granules (bCG)				J Med Chem 41: 1883-93 (1998) Article DOI: 10.1021/jm9707838 BindingDB Entry DOI: 10.7270/Q2TM7987
					More data for this Ligand-Target Pair
V-type proton ATPase subunit S1 (Homo sapiens (Human))	BDBM50064437 (2-[3-(3,15-Dimethoxy-7,9,11,13-tetramethyl-10,16-d...) Show SMILES CO[C@H]1\C=C\C=C(C)\C[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@H]([C@H](C)[C@H](O1)C(C)C)C(=O)Oc1ccccc1 |c:5,15,18,t:3| Show InChI InChI=1S/C42H60O10/c1-24(2)38-29(7)33(40(45)50-32-17-13-12-14-18-32)23-42(47,52-38)31(9)37(44)30(8)39-34(48-10)19-15-16-25(3)20-27(5)36(43)28(6)21-26(4)22-35(49-11)41(46)51-39/h12-19,21-22,24,27-31,33-34,37-39,44,47H,20,23H2,1-11H3/b19-15+,25-16+,26-21+,35-22-/t27-,28+,29-,30-,31-,33+,34-,37+,38+,39+,42+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham SpA Curated by ChEMBL					Assay Description Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from chicken osteoclasts (cOc)				J Med Chem 41: 1883-93 (1998) Article DOI: 10.1021/jm9707838 BindingDB Entry DOI: 10.7270/Q2TM7987
					More data for this Ligand-Target Pair