Compile Data Set for Download or QSAR
Found 8 Enz. Inhib. hit(s) with Target = 'Acid phosphatase'
TargetAcid phosphatase(Francisella tularensis)
University of Florida

LigandPNGBDBM92477(2-phospho-L-ascorbic acid)
Show SMILES OCC(O)c1oc(=O)[c-](OP([O-])([O-])=O)c1O
Show InChI InChI=1S/C6H8O9P/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13/h2,7-9H,1H2,(H2,11,12,13)/q-1/p-2
Affinity DataKi:  320nMAssay Description:The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcid phosphatase(Francisella tularensis)
University of Florida

LigandPNGBDBM59083(MLS002154065 | SMR001233380 | THONZONIUM BROMIDE |...)
Show SMILES CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
Show InChI InChI=1S/C32H55N4O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30/h19-25H,5-18,26-29H2,1-4H3/q+1
Affinity DataKi:  590nMAssay Description:The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...More data for this Ligand-Target Pair
TargetAcid phosphatase(Francisella tularensis)
University of Florida

LigandPNGBDBM92476((+)-5,6-O-Isopropylidene-L-ascorbic acid)
Show SMILES CC1(C)OC[C@H](O1)[C@H]1OC(=O)C(=O)C1O
Show InChI InChI=1S/C9H12O6/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7/h4-5,7,10H,3H2,1-2H3/t4-,5?,7+/m0/s1
Affinity DataKi:  3.27E+3nMAssay Description:The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcid phosphatase(Francisella tularensis)
University of Florida

LigandPNGBDBM39344(4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
Affinity DataKi:  1.48E+4nMAssay Description:The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...More data for this Ligand-Target Pair
TargetAcid phosphatase(Francisella tularensis)
University of Florida

LigandPNGBDBM15236(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
Affinity DataKi:  1.54E+5nMAssay Description:The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...More data for this Ligand-Target Pair
TargetAcid phosphatase(Francisella tularensis)
University of Florida

LigandPNGBDBM7462(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
Affinity DataKi:  1.90E+5nMAssay Description:The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...More data for this Ligand-Target Pair
TargetAcid phosphatase(Francisella tularensis)
University of Florida

LigandPNGBDBM92478(Atracurium besylate | CHEMBL1360)
Show SMILES COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2
Affinity DataKi:  3.42E+5nMAssay Description:The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...More data for this Ligand-Target Pair
TargetAcid phosphatase(Francisella tularensis)
University of Florida

LigandPNGBDBM50090256((R)-2-((S)-1,2-dihydroxyethyl)-4,5-dihydroxyfuran-...)
Show SMILES OC[C@H](O)c1oc(O)c(O)c1O
Show InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,7-11H,1H2/t2-/m0/s1
Affinity DataKi:  3.80E+5nMAssay Description:The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...More data for this Ligand-Target Pair