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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'mabilia' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50073443
PNG
(2-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-2...)
Show SMILES CC(CCn1nc2ccccn2c1=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C20H24ClN5O/c1-16(8-10-26-20(27)25-9-3-2-7-19(25)22-26)23-11-13-24(14-12-23)18-6-4-5-17(21)15-18/h2-7,9,15-16H,8,10-14H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Angelini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-ketanserin binding to 5-hydroxytryptamine 2A receptor


J Med Chem 42: 336-45 (1999)


Article DOI: 10.1021/jm970700n
BindingDB Entry DOI: 10.7270/Q2Q52NSS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50073444
PNG
(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2...)
Show SMILES Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
Show InChI InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2
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n/an/a 17n/an/an/an/an/an/a



Angelini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-ketanserin binding to 5-hydroxytryptamine 2A receptor


J Med Chem 42: 336-45 (1999)


Article DOI: 10.1021/jm970700n
BindingDB Entry DOI: 10.7270/Q2Q52NSS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50073445
PNG
(2-{3-[(S)-4-(3-Chloro-phenyl)-2-methyl-piperazin-1...)
Show SMILES C[C@H]1CN(CCN1CCCn1nc2ccccn2c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H24ClN5O/c1-16-15-24(18-7-4-6-17(21)14-18)13-12-23(16)9-5-11-26-20(27)25-10-3-2-8-19(25)22-26/h2-4,6-8,10,14,16H,5,9,11-13,15H2,1H3/t16-/m0/s1
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n/an/a 25.4n/an/an/an/an/an/a



Angelini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was tested for it's binding affinity towards 5-hydroxytryptamine 2A receptor


J Med Chem 42: 336-45 (1999)


Article DOI: 10.1021/jm970700n
BindingDB Entry DOI: 10.7270/Q2Q52NSS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))
BDBM50408438
PNG
(CHEMBL2068911)
Show SMILES CN(C)CCOC(=O)\C=C\[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H43NO4/c1-24-12-10-20(28)17-19(24)5-7-22-21(24)11-13-25(2)18(9-14-26(22,25)30)6-8-23(29)31-16-15-27(3)4/h6,8,18-22,28,30H,5,7,9-17H2,1-4H3/b8-6+/t18-,19+,20-,21-,22+,24-,25+,26-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase


J Med Chem 41: 3033-40 (1998)


Article DOI: 10.1021/jm980108d
BindingDB Entry DOI: 10.7270/Q2VX0H6K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50073439
PNG
(2-{3-[4-(3-Chloro-phenyl)-2-methyl-piperazin-1-yl]...)
Show SMILES CC1CN(CCN1CCCn1nc2ccccn2c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H24ClN5O/c1-16-15-24(18-7-4-6-17(21)14-18)13-12-23(16)9-5-11-26-20(27)25-10-3-2-8-19(25)22-26/h2-4,6-8,10,14,16H,5,9,11-13,15H2,1H3
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n/an/a 31n/an/an/an/an/an/a



Angelini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-ketanserin binding to 5-hydroxytryptamine 2A receptor


J Med Chem 42: 336-45 (1999)


Article DOI: 10.1021/jm970700n
BindingDB Entry DOI: 10.7270/Q2Q52NSS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))
BDBM50408439
PNG
(CHEMBL2068890)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2\C=C\C=O
Show InChI InChI=1S/C22H34O3/c1-20-10-8-17(24)14-16(20)5-6-19-18(20)9-11-21(2)15(4-3-13-23)7-12-22(19,21)25/h3-4,13,15-19,24-25H,5-12,14H2,1-2H3/b4-3+/t15-,16+,17-,18-,19+,20-,21+,22-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase


J Med Chem 41: 3033-40 (1998)


Article DOI: 10.1021/jm980108d
BindingDB Entry DOI: 10.7270/Q2VX0H6K
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))
BDBM66977
PNG
(3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 |t:25|
Show InChI InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase


J Med Chem 41: 3033-40 (1998)


Article DOI: 10.1021/jm980108d
BindingDB Entry DOI: 10.7270/Q2VX0H6K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50073442
PNG
(2-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-2-methyl...)
Show SMILES CC(CN1CCN(CC1)c1cccc(Cl)c1)Cn1nc2ccccn2c1=O
Show InChI InChI=1S/C20H24ClN5O/c1-16(15-26-20(27)25-8-3-2-7-19(25)22-26)14-23-9-11-24(12-10-23)18-6-4-5-17(21)13-18/h2-8,13,16H,9-12,14-15H2,1H3
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n/an/a 94n/an/an/an/an/an/a



Angelini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-ketanserin binding to 5-hydroxytryptamine 2A receptor


J Med Chem 42: 336-45 (1999)


Article DOI: 10.1021/jm970700n
BindingDB Entry DOI: 10.7270/Q2Q52NSS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))
BDBM50066032
PNG
(CHEMBL323301 | [(1R,4bR,7S,8aR)-7-Hydroxy-1,4b,8,8...)
Show SMILES C[C@@H]1C2C(CC\C1=C/C(=O)OCCN(C)C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2=O
Show InChI InChI=1S/C24H39NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3/b16-13+/t15-,17?,19-,20-,22?,24+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase


J Med Chem 41: 3033-40 (1998)


Article DOI: 10.1021/jm980108d
BindingDB Entry DOI: 10.7270/Q2VX0H6K
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))
BDBM50066031
PNG
((E)-(S)-4-((2S,4bS,7S,8aR)-7-Hydroxy-2,4b-dimethyl...)
Show SMILES CC[C@@H](\C=C\C(=O)OCCN(C)C)[C@]1(C)CCC2C(CC[C@@H]3C[C@@H](O)CC[C@]23C)C1=O
Show InChI InChI=1S/C26H43NO4/c1-6-18(8-10-23(29)31-16-15-27(4)5)26(3)14-12-22-21(24(26)30)9-7-19-17-20(28)11-13-25(19,22)2/h8,10,18-22,28H,6-7,9,11-17H2,1-5H3/b10-8+/t18-,19+,20-,21?,22?,25-,26-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase


J Med Chem 41: 3033-40 (1998)


Article DOI: 10.1021/jm980108d
BindingDB Entry DOI: 10.7270/Q2VX0H6K
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))
BDBM50066029
PNG
(4-[(S)-1-((2S,4bS,7S,8aR)-7-Hydroxy-2,4b-dimethyl-...)
Show SMILES CC[C@H](C1=CC(=O)OC1)[C@@]1(C)CCC2C(CC[C@@H]3C[C@@H](O)CC[C@]23C)C1 |t:3|
Show InChI InChI=1S/C23H36O3/c1-4-19(16-11-21(25)26-14-16)22(2)9-8-20-15(13-22)5-6-17-12-18(24)7-10-23(17,20)3/h11,15,17-20,24H,4-10,12-14H2,1-3H3/t15?,17-,18+,19-,20?,22+,23+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase


J Med Chem 41: 3033-40 (1998)


Article DOI: 10.1021/jm980108d
BindingDB Entry DOI: 10.7270/Q2VX0H6K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50073441
PNG
(2-{3-[4-(3-Chloro-phenyl)-2-ethyl-piperazin-1-yl]-...)
Show SMILES CCC1CN(CCN1CCCn1nc2ccccn2c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H26ClN5O/c1-2-18-16-25(19-8-5-7-17(22)15-19)14-13-24(18)10-6-12-27-21(28)26-11-4-3-9-20(26)23-27/h3-5,7-9,11,15,18H,2,6,10,12-14,16H2,1H3
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n/an/a 169n/an/an/an/an/an/a



Angelini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-ketanserin binding to 5-hydroxytryptamine 2A receptor


J Med Chem 42: 336-45 (1999)


Article DOI: 10.1021/jm970700n
BindingDB Entry DOI: 10.7270/Q2Q52NSS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))
BDBM50066036
PNG
(4-[(R)-1-((2R,4bS,7S,8aR)-7-Hydroxy-2,4b-dimethyl-...)
Show SMILES CC[C@H](C1=CC(=O)OC1)[C@@]1(C)CCC2C(CC[C@@H]3C[C@@H](O)CC[C@]23C)C1=O |t:3|
Show InChI InChI=1S/C23H34O4/c1-4-18(14-11-20(25)27-13-14)23(3)10-8-19-17(21(23)26)6-5-15-12-16(24)7-9-22(15,19)2/h11,15-19,24H,4-10,12-13H2,1-3H3/t15-,16+,17?,18-,19?,22+,23-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase


J Med Chem 41: 3033-40 (1998)


Article DOI: 10.1021/jm980108d
BindingDB Entry DOI: 10.7270/Q2VX0H6K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50073440
PNG
(2-{3-[(R)-4-(3-Chloro-phenyl)-2-methyl-piperazin-1...)
Show SMILES C[C@@H]1CN(CCN1CCCn1nc2ccccn2c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H24ClN5O/c1-16-15-24(18-7-4-6-17(21)14-18)13-12-23(16)9-5-11-26-20(27)25-10-3-2-8-19(25)22-26/h2-4,6-8,10,14,16H,5,9,11-13,15H2,1H3/t16-/m1/s1
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n/an/a 234n/an/an/an/an/an/a



Angelini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was tested for it's binding affinity towards 5-hydroxytryptamine 2A receptor


J Med Chem 42: 336-45 (1999)


Article DOI: 10.1021/jm970700n
BindingDB Entry DOI: 10.7270/Q2Q52NSS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))
BDBM50066034
PNG
((E)-(R)-4-((2R,4bS,7S,8aR)-7-Hydroxy-2,4b-dimethyl...)
Show SMILES CC[C@H](\C=C\C(=O)OCCN(C)C)[C@@]1(C)CCC2C(CC[C@@H]3C[C@@H](O)CC[C@]23C)C1=O
Show InChI InChI=1S/C26H43NO4/c1-6-18(8-10-23(29)31-16-15-27(4)5)26(3)14-12-22-21(24(26)30)9-7-19-17-20(28)11-13-25(19,22)2/h8,10,18-22,28H,6-7,9,11-17H2,1-5H3/b10-8+/t18-,19-,20+,21?,22?,25+,26-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase


J Med Chem 41: 3033-40 (1998)


Article DOI: 10.1021/jm980108d
BindingDB Entry DOI: 10.7270/Q2VX0H6K
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))
BDBM50408437
PNG
(CHEMBL2068917)
Show SMILES COC(=O)\C=C\[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C23H36O4/c1-21-11-9-17(24)14-16(21)4-6-19-18(21)10-12-22(2)15(5-7-20(25)27-3)8-13-23(19,22)26/h5,7,15-19,24,26H,4,6,8-14H2,1-3H3/b7-5+/t15-,16+,17-,18-,19+,21-,22+,23-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase


J Med Chem 41: 3033-40 (1998)


Article DOI: 10.1021/jm980108d
BindingDB Entry DOI: 10.7270/Q2VX0H6K
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101598
PNG
(CHEMBL307495 | [3-Carboxy-2-(dodecane-1-sulfonylam...)
Show SMILES CCCCCCCCCCCCS(=O)(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C19H40N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-26(24,25)20-18(16-19(22)23)17-21(2,3)4/h18,20H,5-17H2,1-4H3/t18-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101591
PNG
(CHEMBL308869 | R-[3-Carboxy-2-(undecane-1-sulfamoy...)
Show SMILES CCCCCCCCCCCNS(=O)(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C18H39N3O4S/c1-5-6-7-8-9-10-11-12-13-14-19-26(24,25)20-17(15-18(22)23)16-21(2,3)4/h17,19-20H,5-16H2,1-4H3/t17-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101594
PNG
(CHEMBL80493 | [3-Carboxy-2-(decane-1-sulfonylamino...)
Show SMILES CCCCCCCCCCS(=O)(=O)NC(CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C17H36N2O4S/c1-5-6-7-8-9-10-11-12-13-24(22,23)18-16(14-17(20)21)15-19(2,3)4/h16,18H,5-15H2,1-4H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform


(Rattus norvegicus)
BDBM50101594
PNG
(CHEMBL80493 | [3-Carboxy-2-(decane-1-sulfonylamino...)
Show SMILES CCCCCCCCCCS(=O)(=O)NC(CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C17H36N2O4S/c1-5-6-7-8-9-10-11-12-13-24(22,23)18-16(14-17(20)21)15-19(2,3)4/h16,18H,5-15H2,1-4H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat heart mitochondrial carnitine palmitoyltransferase 1b using [14C]-palmitoyl-CoA as radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101589
PNG
(CHEMBL77174 | [3-Carboxy-2-(nonylaminosulphonyl-am...)
Show SMILES CCCCCCCCCNS(=O)(=O)NC(CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C16H35N3O4S/c1-5-6-7-8-9-10-11-12-17-24(22,23)18-15(13-16(20)21)14-19(2,3)4/h15,17-18H,5-14H2,1-4H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform


(Rattus norvegicus)
BDBM50101598
PNG
(CHEMBL307495 | [3-Carboxy-2-(dodecane-1-sulfonylam...)
Show SMILES CCCCCCCCCCCCS(=O)(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C19H40N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-26(24,25)20-18(16-19(22)23)17-21(2,3)4/h18,20H,5-17H2,1-4H3/t18-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat heart mitochondrial carnitine palmitoyltransferase 1b using [14C]-palmitoyl-CoA as radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform


(Rattus norvegicus)
BDBM50101589
PNG
(CHEMBL77174 | [3-Carboxy-2-(nonylaminosulphonyl-am...)
Show SMILES CCCCCCCCCNS(=O)(=O)NC(CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C16H35N3O4S/c1-5-6-7-8-9-10-11-12-17-24(22,23)18-15(13-16(20)21)14-19(2,3)4/h15,17-18H,5-14H2,1-4H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat heart mitochondrial carnitine palmitoyltransferase 1b using [14C]-palmitoyl-CoA as radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform


(Rattus norvegicus)
BDBM50101591
PNG
(CHEMBL308869 | R-[3-Carboxy-2-(undecane-1-sulfamoy...)
Show SMILES CCCCCCCCCCCNS(=O)(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C18H39N3O4S/c1-5-6-7-8-9-10-11-12-13-14-19-26(24,25)20-17(15-18(22)23)16-21(2,3)4/h17,19-20H,5-16H2,1-4H3/t17-/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat heart mitochondrial carnitine palmitoyltransferase 1b using [14C]-palmitoyl-CoA as radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))
BDBM50408440
PNG
(CHEMBL2068987)
Show SMILES CN(C)CCOC(=O)\C=C\[C@@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
Show InChI InChI=1S/C26H43NO4/c1-24-12-10-20(28)17-19(24)5-7-22-21(24)11-13-25(2)18(9-14-26(22,25)30)6-8-23(29)31-16-15-27(3)4/h6,8,18-22,28,30H,5,7,9-17H2,1-4H3/b8-6+/t18-,19-,20+,21+,22-,24+,25+,26+/m1/s1
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n/an/a 5.89E+3n/an/an/an/an/an/a



Prassis Istituto di Ricerche Sigma-Tau

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase


J Med Chem 41: 3033-40 (1998)


Article DOI: 10.1021/jm980108d
BindingDB Entry DOI: 10.7270/Q2VX0H6K
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101600
PNG
(CHEMBL305897 | [3-Carboxy-2-(undecane-1-sulfamoyla...)
Show SMILES CCCCCCCCCCCNS(=O)(=O)N[C@@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C18H39N3O4S/c1-5-6-7-8-9-10-11-12-13-14-19-26(24,25)20-17(15-18(22)23)16-21(2,3)4/h17,19-20H,5-16H2,1-4H3/t17-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101604
PNG
(CHEMBL309568 | [3-Carboxy-2-(dodecane-1-sulfonylam...)
Show SMILES CCCCCCCCCCCCS(=O)(=O)N[C@@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C19H40N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-26(24,25)20-18(16-19(22)23)17-21(2,3)4/h18,20H,5-17H2,1-4H3/t18-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform


(Rattus norvegicus)
BDBM50101604
PNG
(CHEMBL309568 | [3-Carboxy-2-(dodecane-1-sulfonylam...)
Show SMILES CCCCCCCCCCCCS(=O)(=O)N[C@@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C19H40N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-26(24,25)20-18(16-19(22)23)17-21(2,3)4/h18,20H,5-17H2,1-4H3/t18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat heart mitochondrial carnitine palmitoyltransferase 1b using [14C]-palmitoyl-CoA as radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform


(Rattus norvegicus)
BDBM50101600
PNG
(CHEMBL305897 | [3-Carboxy-2-(undecane-1-sulfamoyla...)
Show SMILES CCCCCCCCCCCNS(=O)(=O)N[C@@H](CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C18H39N3O4S/c1-5-6-7-8-9-10-11-12-13-14-19-26(24,25)20-17(15-18(22)23)16-21(2,3)4/h17,19-20H,5-16H2,1-4H3/t17-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat heart mitochondrial carnitine palmitoyltransferase 1b using [14C]-palmitoyl-CoA as radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101590
PNG
(CHEMBL78921 | [3-Carboxy-2-(3-nonyl-ureido)-propyl...)
Show SMILES CCCCCCCCCNC(=O)NC(CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C17H35N3O3/c1-5-6-7-8-9-10-11-12-18-17(23)19-15(13-16(21)22)14-20(2,3)4/h15H,5-14H2,1-4H3,(H2-,18,19,21,22,23)
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n/an/a 1.95E+4n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101593
PNG
((3-Carboxy-2-octyloxycarbonylamino-propyl)-trimeth...)
Show SMILES CCCCCCCCOC(=O)NC(CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C16H32N2O4/c1-5-6-7-8-9-10-11-22-16(21)17-14(12-15(19)20)13-18(2,3)4/h14H,5-13H2,1-4H3,(H-,17,19,20,21)
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n/an/a 2.23E+4n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101597
PNG
((3-Carboxy-2-tetradecyloxy-propyl)-trimethyl-ammon...)
Show SMILES CCCCCCCCCCCCCCOC(CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C21H43NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-20(18-21(23)24)19-22(2,3)4/h20H,5-19H2,1-4H3
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n/an/a 4.70E+4n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform


(Rattus norvegicus)
BDBM50101590
PNG
(CHEMBL78921 | [3-Carboxy-2-(3-nonyl-ureido)-propyl...)
Show SMILES CCCCCCCCCNC(=O)NC(CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C17H35N3O3/c1-5-6-7-8-9-10-11-12-18-17(23)19-15(13-16(21)22)14-20(2,3)4/h15H,5-14H2,1-4H3,(H2-,18,19,21,22,23)
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n/an/a 8.32E+4n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat heart mitochondrial carnitine palmitoyltransferase 1b using [14C]-palmitoyl-CoA as radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101607
PNG
(CHEMBL80353 | [3-Carboxy-2-(3-nonyl-thioureido)-pr...)
Show SMILES CCCCCCCCCNC(=S)NC(CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C17H35N3O2S/c1-5-6-7-8-9-10-11-12-18-17(23)19-15(13-16(21)22)14-20(2,3)4/h15H,5-14H2,1-4H3,(H2-,18,19,21,22,23)
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n/an/a 1.22E+5n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform


(Rattus norvegicus)
BDBM50101593
PNG
((3-Carboxy-2-octyloxycarbonylamino-propyl)-trimeth...)
Show SMILES CCCCCCCCOC(=O)NC(CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C16H32N2O4/c1-5-6-7-8-9-10-11-22-16(21)17-14(12-15(19)20)13-18(2,3)4/h14H,5-13H2,1-4H3,(H-,17,19,20,21)
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n/an/a 2.11E+5n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat heart mitochondrial carnitine palmitoyltransferase 1b using [14C]-palmitoyl-CoA as radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101608
PNG
((3-Carboxy-2-tetradecylamino-propyl)-trimethyl-amm...)
Show SMILES CCCCCCCCCCCCCCNC(CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C21H44N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20(18-21(24)25)19-23(2,3)4/h20,22H,5-19H2,1-4H3
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n/an/a 2.30E+5n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101592
PNG
((3-Carboxy-2-nonylcarbamoyloxy-propyl)-trimethyl-a...)
Show SMILES CCCCCCCCCNC(=O)OC(CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C17H34N2O4/c1-5-6-7-8-9-10-11-12-18-17(22)23-15(13-16(20)21)14-19(2,3)4/h15H,5-14H2,1-4H3,(H-,18,20,21,22)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101596
PNG
(1-(3-Carboxy-2-tetradecyloxycarbonyloxy-propyl)-1-...)
Show SMILES CCCCCCCCCCCCCCOC(=O)OC(CC([O-])=O)C[N+]12CCC(CC1)CC2
Show InChI InChI=1S/C26H47NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-31-26(30)32-24(21-25(28)29)22-27-17-14-23(15-18-27)16-19-27/h23-24H,2-22H2,1H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101595
PNG
((3-Carboxy-2-nonylcarbamoyloxy-propyl)-trimethyl-p...)
Show SMILES CCCCCCCCCNC(=O)OC(CC([O-])=O)C[P+](C)(C)C
Show InChI InChI=1S/C17H34NO4P/c1-5-6-7-8-9-10-11-12-18-17(21)22-15(13-16(19)20)14-23(2,3)4/h15H,5-14H2,1-4H3,(H-,18,19,20,21)
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Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101588
PNG
((3-Carboxy-2-nonyloxycarbonyloxy-propyl)-trimethyl...)
Show SMILES CCCCCCCCCOC(=O)OC(CC(O)=O)C[N+](C)(C)C
Show InChI InChI=1S/C17H33NO5/c1-5-6-7-8-9-10-11-12-22-17(21)23-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3/p+1
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Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101599
PNG
(CHEMBL77115 | Trimethyl-[2-tetradecyloxy-3-(2H-tet...)
Show SMILES CCCCCCCCCCCCCCOC(Cc1nn[n-]n1)C[N+](C)(C)C
Show InChI InChI=1S/C21H43N5O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-27-20(19-26(2,3)4)18-21-22-24-25-23-21/h20H,5-19H2,1-4H3
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Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101605
PNG
(1-(3-Phosphono-2-tetradecyloxycarbonyloxy-propyl)-...)
Show SMILES CCCCCCCCCCCCCCOC(=O)OC(C[N+]12CCC(CC1)CC2)CP(O)([O-])=O
Show InChI InChI=1S/C25H48NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-31-25(27)32-24(22-33(28,29)30)21-26-17-14-23(15-18-26)16-19-26/h23-24H,2-22H2,1H3,(H-,28,29,30)
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Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101606
PNG
(CHEMBL80733 | Trimethyl-(2-nonylcarbamoyloxy-3-pho...)
Show SMILES CCCCCCCCCNC(=O)OC(C[N+](C)(C)C)CP(O)([O-])=O
Show InChI InChI=1S/C16H35N2O5P/c1-5-6-7-8-9-10-11-12-17-16(19)23-15(13-18(2,3)4)14-24(20,21)22/h15H,5-14H2,1-4H3,(H2-,17,19,20,21,22)
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Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101603
PNG
((3-Carboxy-2-octylamino-propyl)-trimethyl-ammonium...)
Show SMILES CCCCCCCCNC(CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C15H32N2O2/c1-5-6-7-8-9-10-11-16-14(12-15(18)19)13-17(2,3)4/h14,16H,5-13H2,1-4H3
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Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101601
PNG
((3-Carboxy-2-octyloxy-propyl)-trimethyl-ammonium |...)
Show SMILES CCCCCCCCOC(CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C15H31NO3/c1-5-6-7-8-9-10-11-19-14(12-15(17)18)13-16(2,3)4/h14H,5-13H2,1-4H3
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Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)
BDBM50101602
PNG
(1-(2-Nonylcarbamoyloxy-3-phosphono-propyl)-pyridin...)
Show SMILES CCCCCCCCCNC(=O)OC(C[n+]1ccccc1)CP(O)(O)=O
Show InChI InChI=1S/C18H31N2O5P/c1-2-3-4-5-6-7-9-12-19-18(21)25-17(16-26(22,23)24)15-20-13-10-8-11-14-20/h8,10-11,13-14,17H,2-7,9,12,15-16H2,1H3,(H2-,19,21,22,23,24)/p+1
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Sigma Tau Pharmaceutical Industries S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]-palmitoyl-CoA radioligand


J Med Chem 44: 2383-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SG7
More data for this
Ligand-Target Pair