Compile Data Set for Download or QSAR
Found 80 with Last Name = 'creswell' and Initial = 'm'
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287527(6-(2-Isopropyl-benzenesulfonyl)-5-nitro-quinolin-8...)
Show SMILES CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
Show InChI InChI=1S/C18H17N3O4S/c1-11(2)12-6-3-4-8-15(12)26(24,25)16-10-14(19)17-13(7-5-9-20-17)18(16)21(22)23/h3-11H,19H2,1-2H3
Affinity DataKi:  48nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287536(6-(2-Fluoro-benzenesulfonyl)-5-nitro-quinolin-8-yl...)
Show SMILES Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C15H10FN3O4S/c16-10-5-1-2-6-12(10)24(22,23)13-8-11(17)14-9(4-3-7-18-14)15(13)19(20)21/h1-8H,17H2
Affinity DataKi:  58nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287529(6-(2-Chloro-benzenesulfonyl)-5-nitro-quinolin-8-yl...)
Show SMILES Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C15H10ClN3O4S/c16-10-5-1-2-6-12(10)24(22,23)13-8-11(17)14-9(4-3-7-18-14)15(13)19(20)21/h1-8H,17H2
Affinity DataKi:  93nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287541(5-Nitro-6-(toluene-2-sulfonyl)-quinolin-8-ylamine ...)
Show SMILES Cc1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
Show InChI InChI=1S/C16H13N3O4S/c1-10-5-2-3-7-13(10)24(22,23)14-9-12(17)15-11(6-4-8-18-15)16(14)19(20)21/h2-9H,17H2,1H3
Affinity DataKi:  119nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287538(6-(2-Ethyl-benzenesulfonyl)-5-nitro-quinolin-8-yla...)
Show SMILES CCc1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
Show InChI InChI=1S/C17H15N3O4S/c1-2-11-6-3-4-8-14(11)25(23,24)15-10-13(18)16-12(7-5-9-19-16)17(15)20(21)22/h3-10H,2,18H2,1H3
Affinity DataKi:  129nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287534(6-(2-Bromo-benzenesulfonyl)-5-nitro-quinolin-8-yla...)
Show SMILES Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C15H10BrN3O4S/c16-10-5-1-2-6-12(10)24(22,23)13-8-11(17)14-9(4-3-7-18-14)15(13)19(20)21/h1-8H,17H2
Affinity DataKi:  234nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287526(6-(4-Amino-benzenesulfonyl)-5-nitro-quinolin-8-yla...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O4S/c16-9-3-5-10(6-4-9)24(22,23)13-8-12(17)14-11(2-1-7-18-14)15(13)19(20)21/h1-8H,16-17H2
Affinity DataKi:  282nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287539(6-Benzenesulfonyl-5-nitro-quinolin-8-ylamine | CHE...)
Show SMILES Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11N3O4S/c16-12-9-13(23(21,22)10-5-2-1-3-6-10)15(18(19)20)11-7-4-8-17-14(11)12/h1-9H,16H2
Affinity DataKi:  297nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287530(5-Nitro-6-(toluene-4-sulfonyl)-quinolin-8-ylamine ...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
Show InChI InChI=1S/C16H13N3O4S/c1-10-4-6-11(7-5-10)24(22,23)14-9-13(17)15-12(3-2-8-18-15)16(14)19(20)21/h2-9H,17H2,1H3
Affinity DataKi:  594nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287525(6-(3-Chloro-benzenesulfonyl)-5-nitro-quinolin-8-yl...)
Show SMILES Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H10ClN3O4S/c16-9-3-1-4-10(7-9)24(22,23)13-8-12(17)14-11(5-2-6-18-14)15(13)19(20)21/h1-8H,17H2
Affinity DataKi:  892nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287528(6-(4-Methoxy-benzenesulfonyl)-5-nitro-quinolin-8-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
Show InChI InChI=1S/C16H13N3O5S/c1-24-10-4-6-11(7-5-10)25(22,23)14-9-13(17)15-12(3-2-8-18-15)16(14)19(20)21/h2-9H,17H2,1H3
Affinity DataKi:  1.14E+3nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287533(6-(4-Amino-benzenesulfinyl)-5-nitro-quinolin-8-yla...)
Show SMILES Nc1ccc(cc1)S(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O3S/c16-9-3-5-10(6-4-9)23(22)13-8-12(17)14-11(2-1-7-18-14)15(13)19(20)21/h1-8H,16-17H2
Affinity DataKi:  1.25E+3nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287532(6-(4-Chloro-benzenesulfonyl)-5-nitro-quinolin-8-yl...)
Show SMILES Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClN3O4S/c16-9-3-5-10(6-4-9)24(22,23)13-8-12(17)14-11(2-1-7-18-14)15(13)19(20)21/h1-8H,17H2
Affinity DataKi:  1.75E+3nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287531((6-Benzenesulfonyl-5-nitro-quinolin-8-yl)-methyl-a...)
Show SMILES CNc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H13N3O4S/c1-17-13-10-14(24(22,23)11-6-3-2-4-7-11)16(19(20)21)12-8-5-9-18-15(12)13/h2-10,17H,1H3
Affinity DataKi: >1.00E+4nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287540(CHEMBL54289 | N-(8-Amino-5-nitro-quinolin-6-yl)-be...)
Show SMILES Nc1cc(NS(=O)(=O)c2ccccc2)c([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C15H12N4O4S/c16-12-9-13(18-24(22,23)10-5-2-1-3-6-10)15(19(20)21)11-7-4-8-17-14(11)12/h1-9,18H,16H2
Affinity DataKi: >1.00E+4nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287542(6-Methanesulfonyl-5-nitro-quinolin-8-ylamine | CHE...)
Show SMILES CS(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
Show InChI InChI=1S/C10H9N3O4S/c1-18(16,17)8-5-7(11)9-6(3-2-4-12-9)10(8)13(14)15/h2-5H,11H2,1H3
Affinity DataKi: >1.00E+4nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287537(6-(4-Amino-phenylsulfanyl)-5-nitro-quinolin-8-ylam...)
Show SMILES Nc1ccc(Sc2cc(N)c3ncccc3c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H12N4O2S/c16-9-3-5-10(6-4-9)22-13-8-12(17)14-11(2-1-7-18-14)15(13)19(20)21/h1-8H,16-17H2
Affinity DataKi: >1.00E+4nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 2(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50287526(6-(4-Amino-benzenesulfonyl)-5-nitro-quinolin-8-yla...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O4S/c16-9-3-5-10(6-4-9)24(22,23)13-8-12(17)14-11(2-1-7-18-14)15(13)19(20)21/h1-8H,16-17H2
Affinity DataKi: >1.00E+4nMAssay Description:Compound was tested for binding affinity against neuropeptide Y2 (NPY2) receptor from rat hippocampi.More data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287524(6-(4-Amino-benzenesulfonyl)-quinolin-8-ylamine | C...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(N)c2ncccc2c1
Show InChI InChI=1S/C15H13N3O2S/c16-11-3-5-12(6-4-11)21(19,20)13-8-10-2-1-7-18-15(10)14(17)9-13/h1-9H,16-17H2
Affinity DataKi: >1.00E+4nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287535(4-(5-Nitro-quinoline-6-sulfonyl)-phenylamine | CHE...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc2ncccc2c1[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O4S/c16-10-3-5-11(6-4-10)23(21,22)14-8-7-13-12(2-1-9-17-13)15(14)18(19)20/h1-9H,16H2
Affinity DataKi: >1.00E+4nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287522(6-(4-Amino-benzenesulfonyl)-quinoline-5,8-diamine ...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(N)c2ncccc2c1N
Show InChI InChI=1S/C15H14N4O2S/c16-9-3-5-10(6-4-9)22(20,21)13-8-12(17)15-11(14(13)18)2-1-7-19-15/h1-8H,16-18H2
Affinity DataKi: >1.00E+4nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287523(6-Benzenesulfonyl-8-methyl-5-nitro-quinoline | CHE...)
Show SMILES Cc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H12N2O4S/c1-11-10-14(23(21,22)12-6-3-2-4-7-12)16(18(19)20)13-8-5-9-17-15(11)13/h2-10H,1H3
Affinity DataKi: >1.00E+4nMAssay Description:Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligandMore data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50011204(CHEMBL2368094 | Sodium; 7-[4-(4-fluoro-phenyl)-2-i...)
Show SMILES [Na+].CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1
Show InChI InChI=1S/C27H28FNO4.Na/c1-17(2)27-23(13-12-21(30)14-22(31)15-26(32)33)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19;/h3-13,16-17,21-22,30-31H,14-15H2,1-2H3,(H,32,33);/q;+1/p-1/b13-12+;/t21-,22-;/m1./s1
Affinity DataIC50: 2nMAssay Description:Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.More data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50006407(CHEMBL2367472 | Sodium; 7-[5-(4-fluoro-phenyl)-3-i...)
Show SMILES [Na+].CC(C)c1nn(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1cnccn1
Show InChI InChI=1S/C23H25FN4O4.Na/c1-14(2)22-19(8-7-17(29)11-18(30)12-21(31)32)23(15-3-5-16(24)6-4-15)28(27-22)20-13-25-9-10-26-20;/h3-10,13-14,17-18,29-30H,11-12H2,1-2H3,(H,31,32);/q;+1/p-1/b8-7+;/t17-,18-;/m1./s1
Affinity DataIC50: 6.60nMAssay Description:Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.More data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50006409(CHEMBL2367478 | Sodium; 7-[5-(4-fluoro-phenyl)-3-i...)
Show SMILES [Na+].CC(C)c1nn(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C25H27FN2O4.Na/c1-16(2)24-22(13-12-20(29)14-21(30)15-23(31)32)25(17-8-10-18(26)11-9-17)28(27-24)19-6-4-3-5-7-19;/h3-13,16,20-21,29-30H,14-15H2,1-2H3,(H,31,32);/q;+1/p-1/b13-12+;/t20-,21-;/m1./s1
Affinity DataIC50: 7.20nMAssay Description:Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.More data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50011213(CHEMBL3349878 | Sodium; 7-[2-(4-fluoro-phenyl)-5-i...)
Show SMILES [Na+].CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1
Show InChI InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/p-1/t26?,27-/m1/s1
Affinity DataIC50: 7.5nMAssay Description:Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.More data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50011211(CHEMBL2368089 | Sodium; 7-[4-(4-fluoro-phenyl)-2-i...)
Show SMILES [Na+].CC(C)c1nc(C)cc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C22H26FNO4.Na/c1-13(2)22-19(9-8-17(25)11-18(26)12-21(27)28)20(10-14(3)24-22)15-4-6-16(23)7-5-15;/h4-10,13,17-18,25-26H,11-12H2,1-3H3,(H,27,28);/q;+1/p-1/b9-8+;/t17-,18-;/m1./s1
Affinity DataIC50: 7.70nMAssay Description:Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.More data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054300(1-(2,6-Diisopropyl-phenyl)-3-(2-tridecyl-2,3-dihyd...)
Show SMILES CCCCCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C27H48N6O/c1-6-7-8-9-10-11-12-13-14-15-16-20-33-31-26(30-32-33)29-27(34)28-25-23(21(2)3)18-17-19-24(25)22(4)5/h17-19,21-22,32H,6-16,20H2,1-5H3,(H3,28,29,30,31,34)
Affinity DataIC50: 9nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054305(1-(2,6-Diisopropyl-phenyl)-3-(2-undecyl-2,3-dihydr...)
Show SMILES CCCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C25H44N6O/c1-6-7-8-9-10-11-12-13-14-18-31-29-24(28-30-31)27-25(32)26-23-21(19(2)3)16-15-17-22(23)20(4)5/h15-17,19-20,30H,6-14,18H2,1-5H3,(H3,26,27,28,29,32)
Affinity DataIC50: 9nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50011208(7-[4-(4-Fluoro-phenyl)-2-isopropyl-6-methyl-1-oxy-...)
Show SMILES [Na+].CC(C)c1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(cc(C)[n+]1[O-])-c1ccc(F)cc1
Show InChI InChI=1S/C22H26FNO5.Na/c1-13(2)22-19(9-8-17(25)11-18(26)12-21(27)28)20(10-14(3)24(22)29)15-4-6-16(23)7-5-15;/h4-10,13,17-18,25-26H,11-12H2,1-3H3,(H,27,28);/q;+1/p-1/b9-8+;/t17-,18-;/m1./s1
Affinity DataIC50: 9.40nMAssay Description:Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.More data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50006410(CHEMBL2367477 | Sodium; 7-[5-(4-fluoro-phenyl)-3-i...)
Show SMILES [Na+].CC(C)c1nn(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccn1
Show InChI InChI=1S/C24H26FN3O4.Na/c1-15(2)23-20(11-10-18(29)13-19(30)14-22(31)32)24(16-6-8-17(25)9-7-16)28(27-23)21-5-3-4-12-26-21;/h3-12,15,18-19,29-30H,13-14H2,1-2H3,(H,31,32);/q;+1/p-1/b11-10+;/t18-,19-;/m1./s1
Affinity DataIC50: 10nMAssay Description:Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.More data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054288(1-(2,6-Diisopropyl-phenyl)-3-(2-tetradecyl-2,3-dih...)
Show SMILES CCCCCCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C28H50N6O/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-34-32-27(31-33-34)30-28(35)29-26-24(22(2)3)19-18-20-25(26)23(4)5/h18-20,22-23,33H,6-17,21H2,1-5H3,(H3,29,30,31,32,35)
Affinity DataIC50: 12nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054279(1-(2,6-Diisopropyl-phenyl)-3-(2-dodecyl-2,3-dihydr...)
Show SMILES CCCCCCCCCCCCN1NN=C(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C27H48N6O/c1-6-7-8-9-10-11-12-13-14-15-19-33-31-25(30-32-33)20-28-27(34)29-26-23(21(2)3)17-16-18-24(26)22(4)5/h16-18,21-22,32H,6-15,19-20H2,1-5H3,(H,30,31)(H2,28,29,34)
Affinity DataIC50: 12nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054281(1-(2,6-Diisopropyl-phenyl)-3-(3-tridecyl-isoxazol-...)
Show SMILES CCCCCCCCCCCCCc1cc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)on1
Show InChI InChI=1S/C29H47N3O2/c1-6-7-8-9-10-11-12-13-14-15-16-18-24-21-27(34-32-24)30-29(33)31-28-25(22(2)3)19-17-20-26(28)23(4)5/h17,19-23H,6-16,18H2,1-5H3,(H2,30,31,33)
Affinity DataIC50: 13nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50011206(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15+,16+,18-,19?,20+,21+,23+/m1/s1
Affinity DataIC50: 13nMAssay Description:Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.More data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50014345(CHEMBL11804 | Sodium; (E)-(3R,5S)-9,9-bis-(4-fluor...)
Show SMILES Cn1nnnc1C(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H22F2N4O4/c1-29-23(26-27-28-29)20(11-10-18(30)12-19(31)13-21(32)33)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15/h2-11,18-19,30-31H,12-13H2,1H3,(H,32,33)/p-1/b11-10+/t18-,19-/m1/s1
Affinity DataIC50: 13nMAssay Description:Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.More data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054284(1-(2-Decyl-2,3-dihydro-1H-tetrazol-5-yl)-3-(2,6-di...)
Show SMILES CCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C24H42N6O/c1-6-7-8-9-10-11-12-13-17-30-28-23(27-29-30)26-24(31)25-22-20(18(2)3)15-14-16-21(22)19(4)5/h14-16,18-19,29H,6-13,17H2,1-5H3,(H3,25,26,27,28,31)
Affinity DataIC50: 14nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054302(1-(2,6-Diisopropyl-phenyl)-3-(2-dodecyl-2,3-dihydr...)
Show SMILES CCCCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C26H46N6O/c1-6-7-8-9-10-11-12-13-14-15-19-32-30-25(29-31-32)28-26(33)27-24-22(20(2)3)17-16-18-23(24)21(4)5/h16-18,20-21,31H,6-15,19H2,1-5H3,(H3,27,28,29,30,33)
Affinity DataIC50: 14nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054278(1-(2,6-Diisopropyl-phenyl)-3-(5-tridecyl-isoxazol-...)
Show SMILES CCCCCCCCCCCCCc1cc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)no1
Show InChI InChI=1S/C29H47N3O2/c1-6-7-8-9-10-11-12-13-14-15-16-18-24-21-27(32-34-24)30-29(33)31-28-25(22(2)3)19-17-20-26(28)23(4)5/h17,19-23H,6-16,18H2,1-5H3,(H2,30,31,32,33)
Affinity DataIC50: 14nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054297(1-(2,6-Diisopropyl-phenyl)-3-(5-tridecyl-[1,3,4]ox...)
Show SMILES CCCCCCCCCCCCCc1nnc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)o1
Show InChI InChI=1S/C28H46N4O2/c1-6-7-8-9-10-11-12-13-14-15-16-20-25-31-32-28(34-25)30-27(33)29-26-23(21(2)3)18-17-19-24(26)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H2,29,30,32,33)
Affinity DataIC50: 18nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054294(1-(2,6-Diisopropyl-phenyl)-3-(3-dodecyl-isoxazol-5...)
Show SMILES CCCCCCCCCCCCc1cc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)on1
Show InChI InChI=1S/C28H45N3O2/c1-6-7-8-9-10-11-12-13-14-15-17-23-20-26(33-31-23)29-28(32)30-27-24(21(2)3)18-16-19-25(27)22(4)5/h16,18-22H,6-15,17H2,1-5H3,(H2,29,30,32)
Affinity DataIC50: 19nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50011203(CHEMBL3349880 | Sodium; 7-[3,4-dibromo-2-(4-fluoro...)
Show SMILES [Na+].CC(C)c1c(Br)c(Br)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C20H24Br2FNO4/c1-11(2)19-17(21)18(22)20(12-3-5-13(23)6-4-12)24(19)8-7-14(25)9-15(26)10-16(27)28/h3-6,11,14-15,25-26H,7-10H2,1-2H3,(H,27,28)/p-1/t14?,15-/m1/s1
Affinity DataIC50: 26nMAssay Description:Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.More data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054304(1-(2,6-Diisopropyl-phenyl)-3-(3-tetradecyl-isoxazo...)
Show SMILES CCCCCCCCCCCCCCc1cc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)on1
Show InChI InChI=1S/C30H49N3O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-25-22-28(35-33-25)31-30(34)32-29-26(23(2)3)20-18-21-27(29)24(4)5/h18,20-24H,6-17,19H2,1-5H3,(H2,31,32,34)
Affinity DataIC50: 28nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054277(1-(3-Decyl-isoxazol-5-yl)-3-(2,6-diisopropyl-pheny...)
Show SMILES CCCCCCCCCCc1cc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)on1
Show InChI InChI=1S/C26H41N3O2/c1-6-7-8-9-10-11-12-13-15-21-18-24(31-29-21)27-26(30)28-25-22(19(2)3)16-14-17-23(25)20(4)5/h14,16-20H,6-13,15H2,1-5H3,(H2,27,28,30)
Affinity DataIC50: 29nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054312(1-(2,6-Diisopropyl-phenyl)-3-(2-nonyl-2,3-dihydro-...)
Show SMILES CCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C23H40N6O/c1-6-7-8-9-10-11-12-16-29-27-22(26-28-29)25-23(30)24-21-19(17(2)3)14-13-15-20(21)18(4)5/h13-15,17-18,28H,6-12,16H2,1-5H3,(H3,24,25,26,27,30)
Affinity DataIC50: 31nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054308(1-(2,6-Diisopropyl-phenyl)-3-[2-(11-hydroxy-undecy...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1=NN(CCCCCCCCCCCO)NN1
Show InChI InChI=1S/C25H44N6O2/c1-19(2)21-15-14-16-22(20(3)4)23(21)26-25(33)27-24-28-30-31(29-24)17-12-10-8-6-5-7-9-11-13-18-32/h14-16,19-20,30,32H,5-13,17-18H2,1-4H3,(H3,26,27,28,29,33)
Affinity DataIC50: 32nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50368147((+)-(3R,5S)-fluvastatin | (3R,5S)-fluvastatin | (3...)
Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/p-1/b12-11+/t18-,19-/m1/s1
Affinity DataIC50: 32nMAssay Description:Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.More data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054289(1-(2,6-Diisopropyl-phenyl)-3-(1-dodecyl-1H-imidazo...)
Show SMILES CCCCCCCCCCCCn1cnc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)c1
Show InChI InChI=1S/C28H46N4O/c1-6-7-8-9-10-11-12-13-14-15-19-32-20-26(29-21-32)30-28(33)31-27-24(22(2)3)17-16-18-25(27)23(4)5/h16-18,20-23H,6-15,19H2,1-5H3,(H2,30,31,33)
Affinity DataIC50: 35nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054298(1-(2,6-Diisopropyl-phenyl)-3-(5-tridecyl-[1,3,4]th...)
Show SMILES CCCCCCCCCCCCCc1nnc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)s1
Show InChI InChI=1S/C28H46N4OS/c1-6-7-8-9-10-11-12-13-14-15-16-20-25-31-32-28(34-25)30-27(33)29-26-23(21(2)3)18-17-19-24(26)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H2,29,30,32,33)
Affinity DataIC50: 36nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50054313(1-(2,6-Diisopropyl-phenyl)-3-{2-[11-(tetrahydro-py...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nnn(CCCCCCCCCCCOC2CCCCO2)n1
Show InChI InChI=1S/C30H50N6O3/c1-23(2)25-17-16-18-26(24(3)4)28(25)31-30(37)32-29-33-35-36(34-29)20-13-10-8-6-5-7-9-11-14-21-38-27-19-12-15-22-39-27/h16-18,23-24,27H,5-15,19-22H2,1-4H3,(H2,31,32,34,37)
Affinity DataIC50: 37nMAssay Description:Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomesMore data for this Ligand-Target Pair
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