Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosinetriphosphatase'   

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
Vacuolar proton pump subunit B (Gallus gallus)	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/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Compound was tested for inhibition of osteoclast vacuolar ATPase derived from chicken medullary bone				Bioorg Med Chem Lett 10: 503-7 (2000) BindingDB Entry DOI: 10.7270/Q2542P4C
					More data for this Ligand-Target Pair
Vacuolar proton pump subunit B (Gallus gallus)	BDBM50064182 ((2Z,4E)-5-(5,6-Dichloro-1H-indol-2-yl)-2-methoxy-p...) Show SMILES CO\C(=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1CC(C)(C)NC(C)(C)C1 Show InChI InChI=1S/C23H29Cl2N3O2/c1-22(2)12-16(13-23(3,4)28-22)27-21(29)20(30-5)8-6-7-15-9-14-10-17(24)18(25)11-19(14)26-15/h6-11,16,26,28H,12-13H2,1-5H3,(H,27,29)/b7-6+,20-8-	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Compound was tested for inhibition of osteoclast vacuolar ATPase derived from chicken medullary bone				Bioorg Med Chem Lett 10: 503-7 (2000) BindingDB Entry DOI: 10.7270/Q2542P4C
					More data for this Ligand-Target Pair
Vacuolar proton pump subunit B (Gallus gallus)	BDBM50086850 ((2E,4E)-Hexa-2,4-dienedioic acid (3,4-dichloro-phe...) Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)\C=C\C=C\C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H27Cl2N3O2/c1-20(2)12-15(13-21(3,4)26-20)25-19(28)8-6-5-7-18(27)24-14-9-10-16(22)17(23)11-14/h5-11,15,26H,12-13H2,1-4H3,(H,24,27)(H,25,28)/b7-5+,8-6+	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibition of osteoclast vacuolar acid pump				Bioorg Med Chem Lett 10: 503-7 (2000) BindingDB Entry DOI: 10.7270/Q2542P4C
					More data for this Ligand-Target Pair
Vacuolar proton pump subunit B (Gallus gallus)	BDBM50086849 (3-[(3,4-Dichloro-phenylcarbamoyl)-methyl]-N-(2,2,6...) Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)c1cccc(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C24H29Cl2N3O2/c1-23(2)13-18(14-24(3,4)29-23)28-22(31)16-7-5-6-15(10-16)11-21(30)27-17-8-9-19(25)20(26)12-17/h5-10,12,18,29H,11,13-14H2,1-4H3,(H,27,30)(H,28,31)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibition of osteoclast vacuolar acid pump				Bioorg Med Chem Lett 10: 503-7 (2000) BindingDB Entry DOI: 10.7270/Q2542P4C
					More data for this Ligand-Target Pair