Found 78 hits with Last Name = 'lustig' and Initial = 'da' 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 |
|---|
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138607
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)N[C@H]4CCCc5ccccc45)CC3)ccc2s1 Show InChI InChI=1S/C27H34N4O3S/c1-19-28-25-15-22(9-10-26(25)35-19)34-18-21(32)16-30-11-13-31(14-12-30)17-27(33)29-24-8-4-6-20-5-2-3-7-23(20)24/h2-3,5,7,9-10,15,21,24,32H,4,6,8,11-14,16-18H2,1H3,(H,29,33)/t21-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138628
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc5ccccc45)CC3)ccc2s1 Show InChI InChI=1S/C27H30N4O3S/c1-19-28-25-15-22(9-10-26(25)35-19)34-18-21(32)16-30-11-13-31(14-12-30)17-27(33)29-24-8-4-6-20-5-2-3-7-23(20)24/h2-10,15,21,32H,11-14,16-18H2,1H3,(H,29,33)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156430
((R)-1-{(S)-4-[5-(2,4-Dichloro-phenyl)-[1,2,4]oxadi...)Show SMILES C[C@H]1CN(Cc2noc(n2)-c2ccc(Cl)cc2Cl)CCN1C[C@@H](O)COc1ccc2sc(C)nc2c1 Show InChI InChI=1S/C25H27Cl2N5O3S/c1-15-11-31(13-24-29-25(35-30-24)20-5-3-17(26)9-21(20)27)7-8-32(15)12-18(33)14-34-19-4-6-23-22(10-19)28-16(2)36-23/h3-6,9-10,15,18,33H,7-8,11-14H2,1-2H3/t15-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156430
((R)-1-{(S)-4-[5-(2,4-Dichloro-phenyl)-[1,2,4]oxadi...)Show SMILES C[C@H]1CN(Cc2noc(n2)-c2ccc(Cl)cc2Cl)CCN1C[C@@H](O)COc1ccc2sc(C)nc2c1 Show InChI InChI=1S/C25H27Cl2N5O3S/c1-15-11-31(13-24-29-25(35-30-24)20-5-3-17(26)9-21(20)27)7-8-32(15)12-18(33)14-34-19-4-6-23-22(10-19)28-16(2)36-23/h3-6,9-10,15,18,33H,7-8,11-14H2,1-2H3/t15-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156421
((R)-1-{4-[5-(2,4-Dichloro-phenyl)-[1,2,4]oxadiazol...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(n4)-c4ccc(Cl)cc4Cl)CC3)ccc2s1 Show InChI InChI=1S/C24H25Cl2N5O3S/c1-15-27-21-11-18(3-5-22(21)35-15)33-14-17(32)12-30-6-8-31(9-7-30)13-23-28-24(34-29-23)19-4-2-16(25)10-20(19)26/h2-5,10-11,17,32H,6-9,12-14H2,1H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138619
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)Show SMILES C[C@H](NC(=O)CN1CCN(C[C@@H](O)COc2ccc3sc(C)nc3c2)CC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C29H34N4O3S/c1-20(23-8-7-22-5-3-4-6-24(22)15-23)30-29(35)18-33-13-11-32(12-14-33)17-25(34)19-36-26-9-10-28-27(16-26)31-21(2)37-28/h3-10,15-16,20,25,34H,11-14,17-19H2,1-2H3,(H,30,35)/t20-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138602
(CHEMBL152968 | N-Biphenyl-3-yl-2-{4-[(R)-2-hydroxy...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(c4)-c4ccccc4)CC3)ccc2s1 Show InChI InChI=1S/C29H32N4O3S/c1-21-30-27-17-26(10-11-28(27)37-21)36-20-25(34)18-32-12-14-33(15-13-32)19-29(35)31-24-9-5-8-23(16-24)22-6-3-2-4-7-22/h2-11,16-17,25,34H,12-15,18-20H2,1H3,(H,31,35)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156415
((R)-1-{4-[5-(4-tert-Butyl-phenyl)-[1,2,4]oxadiazol...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(n4)-c4ccc(cc4)C(C)(C)C)CC3)ccc2s1 Show InChI InChI=1S/C28H35N5O3S/c1-19-29-24-15-23(9-10-25(24)37-19)35-18-22(34)16-32-11-13-33(14-12-32)17-26-30-27(36-31-26)20-5-7-21(8-6-20)28(2,3)4/h5-10,15,22,34H,11-14,16-18H2,1-4H3/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138617
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc5CCCc5c4)CC3)ccc2s1 Show InChI InChI=1S/C26H32N4O3S/c1-18-27-24-14-23(7-8-25(24)34-18)33-17-22(31)15-29-9-11-30(12-10-29)16-26(32)28-21-6-5-19-3-2-4-20(19)13-21/h5-8,13-14,22,31H,2-4,9-12,15-17H2,1H3,(H,28,32)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156413
((R)-1-(2-Methyl-benzothiazol-5-yloxy)-3-{(S)-2-met...)Show SMILES C[C@H]1CN(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)CCN1C[C@@H](O)COc1ccc2sc(C)nc2c1 Show InChI InChI=1S/C26H28F3N5O3S/c1-16-12-33(14-24-31-25(37-32-24)18-3-5-19(6-4-18)26(27,28)29)9-10-34(16)13-20(35)15-36-21-7-8-23-22(11-21)30-17(2)38-23/h3-8,11,16,20,35H,9-10,12-15H2,1-2H3/t16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138625
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)ccc2s1 Show InChI InChI=1S/C29H32N4O4S/c1-21-30-27-17-26(11-12-28(27)38-21)36-20-23(34)18-32-13-15-33(16-14-32)19-29(35)31-22-7-9-25(10-8-22)37-24-5-3-2-4-6-24/h2-12,17,23,34H,13-16,18-20H2,1H3,(H,31,35)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138627
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(Oc5ccccc5)c4)CC3)ccc2s1 Show InChI InChI=1S/C29H32N4O4S/c1-21-30-27-17-25(10-11-28(27)38-21)36-20-23(34)18-32-12-14-33(15-13-32)19-29(35)31-22-6-5-9-26(16-22)37-24-7-3-2-4-8-24/h2-11,16-17,23,34H,12-15,18-20H2,1H3,(H,31,35)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156414
((R)-1-(2-Methyl-benzothiazol-5-yloxy)-3-{4-[5-(4-t...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(n4)-c4ccc(cc4)C(F)(F)F)CC3)ccc2s1 Show InChI InChI=1S/C25H26F3N5O3S/c1-16-29-21-12-20(6-7-22(21)37-16)35-15-19(34)13-32-8-10-33(11-9-32)14-23-30-24(36-31-23)17-2-4-18(5-3-17)25(26,27)28/h2-7,12,19,34H,8-11,13-15H2,1H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138598
(CHEMBL153741 | N-Biphenyl-4-yl-2-{4-[(R)-2-hydroxy...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(cc4)-c4ccccc4)CC3)ccc2s1 Show InChI InChI=1S/C29H32N4O3S/c1-21-30-27-17-26(11-12-28(27)37-21)36-20-25(34)18-32-13-15-33(16-14-32)19-29(35)31-24-9-7-23(8-10-24)22-5-3-2-4-6-22/h2-12,17,25,34H,13-16,18-20H2,1H3,(H,31,35)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156431
((R)-1-{4-[5-(3,4-Dichloro-phenyl)-[1,2,4]oxadiazol...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(n4)-c4ccc(Cl)c(Cl)c4)CC3)ccc2s1 Show InChI InChI=1S/C24H25Cl2N5O3S/c1-15-27-21-11-18(3-5-22(21)35-15)33-14-17(32)12-30-6-8-31(9-7-30)13-23-28-24(34-29-23)16-2-4-19(25)20(26)10-16/h2-5,10-11,17,32H,6-9,12-14H2,1H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156427
((R)-1-{4-[3-(4-tert-Butyl-phenyl)-[1,2,4]oxadiazol...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc(no4)-c4ccc(cc4)C(C)(C)C)CC3)ccc2s1 Show InChI InChI=1S/C28H35N5O3S/c1-19-29-24-15-23(9-10-25(24)37-19)35-18-22(34)16-32-11-13-33(14-12-32)17-26-30-27(31-36-26)20-5-7-21(8-6-20)28(2,3)4/h5-10,15,22,34H,11-14,16-18H2,1-4H3/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138629
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc5CCCCc5c4)CC3)ccc2s1 Show InChI InChI=1S/C27H34N4O3S/c1-19-28-25-15-24(8-9-26(25)35-19)34-18-23(32)16-30-10-12-31(13-11-30)17-27(33)29-22-7-6-20-4-2-3-5-21(20)14-22/h6-9,14-15,23,32H,2-5,10-13,16-18H2,1H3,(H,29,33)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138609
(CHEMBL155284 | N-[1-((S)-4-Fluoro-phenyl)-ethyl]-2...)Show SMILES C[C@H](NC(=O)CN1CCN(C[C@@H](O)COc2ccc3sc(C)nc3c2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C25H31FN4O3S/c1-17(19-3-5-20(26)6-4-19)27-25(32)15-30-11-9-29(10-12-30)14-21(31)16-33-22-7-8-24-23(13-22)28-18(2)34-24/h3-8,13,17,21,31H,9-12,14-16H2,1-2H3,(H,27,32)/t17-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138611
(CHEMBL150614 | N-(9-Ethyl-9H-carbazol-3-yl)-2-{4-[...)Show SMILES CCn1c2ccccc2c2cc(NC(=O)CN3CCN(C[C@@H](O)COc4ccc5sc(C)nc5c4)CC3)ccc12 Show InChI InChI=1S/C31H35N5O3S/c1-3-36-28-7-5-4-6-25(28)26-16-22(8-10-29(26)36)33-31(38)19-35-14-12-34(13-15-35)18-23(37)20-39-24-9-11-30-27(17-24)32-21(2)40-30/h4-11,16-17,23,37H,3,12-15,18-20H2,1-2H3,(H,33,38)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138606
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc5[nH]ccc45)CC3)ccc2s1 Show InChI InChI=1S/C25H29N5O3S/c1-17-27-23-13-19(5-6-24(23)34-17)33-16-18(31)14-29-9-11-30(12-10-29)15-25(32)28-22-4-2-3-21-20(22)7-8-26-21/h2-8,13,18,26,31H,9-12,14-16H2,1H3,(H,28,32)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156429
((R)-1-{4-[5-(4-Isopropyl-phenyl)-[1,2,4]oxadiazol-...)Show SMILES CC(C)c1ccc(cc1)-c1nc(CN2CCN(C[C@@H](O)COc3ccc4sc(C)nc4c3)CC2)no1 Show InChI InChI=1S/C27H33N5O3S/c1-18(2)20-4-6-21(7-5-20)27-29-26(30-35-27)16-32-12-10-31(11-13-32)15-22(33)17-34-23-8-9-25-24(14-23)28-19(3)36-25/h4-9,14,18,22,33H,10-13,15-17H2,1-3H3/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156433
((R)-1-{4-[5-(4-tert-Butyl-phenyl)-[1,3,4]oxadiazol...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nnc(o4)-c4ccc(cc4)C(C)(C)C)CC3)ccc2s1 Show InChI InChI=1S/C28H35N5O3S/c1-19-29-24-15-23(9-10-25(24)37-19)35-18-22(34)16-32-11-13-33(14-12-32)17-26-30-31-27(36-26)20-5-7-21(8-6-20)28(2,3)4/h5-10,15,22,34H,11-14,16-18H2,1-4H3/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156423
((R)-1-{4-[3-(2,4-Dichloro-phenyl)-[1,2,4]oxadiazol...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc(no4)-c4ccc(Cl)cc4Cl)CC3)ccc2s1 Show InChI InChI=1S/C24H25Cl2N5O3S/c1-15-27-21-11-18(3-5-22(21)35-15)33-14-17(32)12-30-6-8-31(9-7-30)13-23-28-24(29-34-23)19-4-2-16(25)10-20(19)26/h2-5,10-11,17,32H,6-9,12-14H2,1H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156438
((R)-1-{4-[3-(4-Isopropyl-phenyl)-[1,2,4]oxadiazol-...)Show SMILES CC(C)c1ccc(cc1)-c1noc(CN2CCN(C[C@@H](O)COc3ccc4sc(C)nc4c3)CC2)n1 Show InChI InChI=1S/C27H33N5O3S/c1-18(2)20-4-6-21(7-5-20)27-29-26(35-30-27)16-32-12-10-31(11-13-32)15-22(33)17-34-23-8-9-25-24(14-23)28-19(3)36-25/h4-9,14,18,22,33H,10-13,15-17H2,1-3H3/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156436
((R)-1-(2-Methyl-benzothiazol-5-yloxy)-3-{4-[2-(4-t...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4csc(n4)-c4ccc(cc4)C(F)(F)F)CC3)ccc2s1 Show InChI InChI=1S/C26H27F3N4O2S2/c1-17-30-23-12-22(6-7-24(23)37-17)35-15-21(34)14-33-10-8-32(9-11-33)13-20-16-36-25(31-20)18-2-4-19(5-3-18)26(27,28)29/h2-7,12,16,21,34H,8-11,13-15H2,1H3/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156419
((R)-1-(2-Methyl-benzothiazol-5-yloxy)-3-{4-[5-meth...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc(sc4C)-c4ccc(cc4)C(F)(F)F)CC3)ccc2s1 Show InChI InChI=1S/C27H29F3N4O2S2/c1-17-24(32-26(37-17)19-3-5-20(6-4-19)27(28,29)30)15-34-11-9-33(10-12-34)14-21(35)16-36-22-7-8-25-23(13-22)31-18(2)38-25/h3-8,13,21,35H,9-12,14-16H2,1-2H3/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156424
((R)-1-{4-[5-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-3-y...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(n4)-c4ccc(F)cc4)CC3)ccc2s1 Show InChI InChI=1S/C24H26FN5O3S/c1-16-26-21-12-20(6-7-22(21)34-16)32-15-19(31)13-29-8-10-30(11-9-29)14-23-27-24(33-28-23)17-2-4-18(25)5-3-17/h2-7,12,19,31H,8-11,13-15H2,1H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156417
((R)-1-{4-[5-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-3-...)Show SMILES COc1ccc(cc1)-c1nc(CN2CCN(C[C@@H](O)COc3ccc4sc(C)nc4c3)CC2)no1 Show InChI InChI=1S/C25H29N5O4S/c1-17-26-22-13-21(7-8-23(22)35-17)33-16-19(31)14-29-9-11-30(12-10-29)15-24-27-25(34-28-24)18-3-5-20(32-2)6-4-18/h3-8,13,19,31H,9-12,14-16H2,1-2H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156441
((R)-1-{4-[3-(3,4-Dichloro-phenyl)-[1,2,4]oxadiazol...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc(no4)-c4ccc(Cl)c(Cl)c4)CC3)ccc2s1 Show InChI InChI=1S/C24H25Cl2N5O3S/c1-15-27-21-11-18(3-5-22(21)35-15)33-14-17(32)12-30-6-8-31(9-7-30)13-23-28-24(29-34-23)16-2-4-19(25)20(26)10-16/h2-5,10-11,17,32H,6-9,12-14H2,1H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138613
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(C)cc4)CC3)ccc2s1 Show InChI InChI=1S/C24H30N4O3S/c1-17-3-5-19(6-4-17)26-24(30)15-28-11-9-27(10-12-28)14-20(29)16-31-21-7-8-23-22(13-21)25-18(2)32-23/h3-8,13,20,29H,9-12,14-16H2,1-2H3,(H,26,30)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156422
((R)-1-(2-Methyl-benzothiazol-5-yloxy)-3-{4-[5-(4-t...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(n4)-c4ccc(OC(F)(F)F)cc4)CC3)ccc2s1 Show InChI InChI=1S/C25H26F3N5O4S/c1-16-29-21-12-20(6-7-22(21)38-16)35-15-18(34)13-32-8-10-33(11-9-32)14-23-30-24(37-31-23)17-2-4-19(5-3-17)36-25(26,27)28/h2-7,12,18,34H,8-11,13-15H2,1H3/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138618
(CHEMBL152844 | N-[4-(4-Chloro-phenoxy)-phenyl]-2-{...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(Oc5ccc(Cl)cc5)cc4)CC3)ccc2s1 Show InChI InChI=1S/C29H31ClN4O4S/c1-20-31-27-16-26(10-11-28(27)39-20)37-19-23(35)17-33-12-14-34(15-13-33)18-29(36)32-22-4-8-25(9-5-22)38-24-6-2-21(30)3-7-24/h2-11,16,23,35H,12-15,17-19H2,1H3,(H,32,36)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138626
(CHEMBL152947 | N-(4-Chloro-benzyl)-2-{4-[(R)-2-hyd...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)NCc4ccc(Cl)cc4)CC3)ccc2s1 Show InChI InChI=1S/C24H29ClN4O3S/c1-17-27-22-12-21(6-7-23(22)33-17)32-16-20(30)14-28-8-10-29(11-9-28)15-24(31)26-13-18-2-4-19(25)5-3-18/h2-7,12,20,30H,8-11,13-16H2,1H3,(H,26,31)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138630
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)N[C@H]4CCc5ccccc45)CC3)ccc2s1 Show InChI InChI=1S/C26H32N4O3S/c1-18-27-24-14-21(7-9-25(24)34-18)33-17-20(31)15-29-10-12-30(13-11-29)16-26(32)28-23-8-6-19-4-2-3-5-22(19)23/h2-5,7,9,14,20,23,31H,6,8,10-13,15-17H2,1H3,(H,28,32)/t20-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156428
((R)-1-{4-[5-(4-Chloro-phenyl)-[1,2,4]oxadiazol-3-y...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(n4)-c4ccc(Cl)cc4)CC3)ccc2s1 Show InChI InChI=1S/C24H26ClN5O3S/c1-16-26-21-12-20(6-7-22(21)34-16)32-15-19(31)13-29-8-10-30(11-9-29)14-23-27-24(33-28-23)17-2-4-18(25)5-3-17/h2-7,12,19,31H,8-11,13-15H2,1H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138599
(CHEMBL154751 | N-(2,6-Dimethyl-phenyl)-2-{4-[(R)-2...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)ccc2s1 Show InChI InChI=1S/C25H32N4O3S/c1-17-5-4-6-18(2)25(17)27-24(31)15-29-11-9-28(10-12-29)14-20(30)16-32-21-7-8-23-22(13-21)26-19(3)33-23/h4-8,13,20,30H,9-12,14-16H2,1-3H3,(H,27,31)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138599
(CHEMBL154751 | N-(2,6-Dimethyl-phenyl)-2-{4-[(R)-2...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)ccc2s1 Show InChI InChI=1S/C25H32N4O3S/c1-17-5-4-6-18(2)25(17)27-24(31)15-29-11-9-28(10-12-29)14-20(30)16-32-21-7-8-23-22(13-21)26-19(3)33-23/h4-8,13,20,30H,9-12,14-16H2,1-3H3,(H,27,31)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156435
((R)-1-(2-Methyl-benzothiazol-5-yloxy)-3-{4-[3-(4-t...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc(no4)-c4ccc(cc4)C(F)(F)F)CC3)ccc2s1 Show InChI InChI=1S/C25H26F3N5O3S/c1-16-29-21-12-20(6-7-22(21)37-16)35-15-19(34)13-32-8-10-33(11-9-32)14-23-30-24(31-36-23)17-2-4-18(5-3-17)25(26,27)28/h2-7,12,19,34H,8-11,13-15H2,1H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138604
(CHEMBL153159 | N-Benzyl-2-{4-[(R)-2-hydroxy-3-(2-m...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)NCc4ccccc4)CC3)ccc2s1 Show InChI InChI=1S/C24H30N4O3S/c1-18-26-22-13-21(7-8-23(22)32-18)31-17-20(29)15-27-9-11-28(12-10-27)16-24(30)25-14-19-5-3-2-4-6-19/h2-8,13,20,29H,9-12,14-17H2,1H3,(H,25,30)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138623
(CHEMBL357278 | N-(4-Chloro-3-trifluoromethyl-pheny...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)CC3)ccc2s1 Show InChI InChI=1S/C24H26ClF3N4O3S/c1-15-29-21-11-18(3-5-22(21)36-15)35-14-17(33)12-31-6-8-32(9-7-31)13-23(34)30-16-2-4-20(25)19(10-16)24(26,27)28/h2-5,10-11,17,33H,6-9,12-14H2,1H3,(H,30,34)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156437
((R)-1-{4-[5-(3-Chloro-phenyl)-[1,2,4]oxadiazol-3-y...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(n4)-c4cccc(Cl)c4)CC3)ccc2s1 Show InChI InChI=1S/C24H26ClN5O3S/c1-16-26-21-12-20(5-6-22(21)34-16)32-15-19(31)13-29-7-9-30(10-8-29)14-23-27-24(33-28-23)17-3-2-4-18(25)11-17/h2-6,11-12,19,31H,7-10,13-15H2,1H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138621
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)Show SMILES C[C@H](NC(=O)CN1CCN(C[C@@H](O)COc2ccc3sc(C)nc3c2)CC1)c1ccccc1 Show InChI InChI=1S/C25H32N4O3S/c1-18(20-6-4-3-5-7-20)26-25(31)16-29-12-10-28(11-13-29)15-21(30)17-32-22-8-9-24-23(14-22)27-19(2)33-24/h3-9,14,18,21,30H,10-13,15-17H2,1-2H3,(H,26,31)/t18-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156434
(4-(3-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(n4)-c4ccc(cc4)C#N)CC3)ccc2s1 Show InChI InChI=1S/C25H26N6O3S/c1-17-27-22-12-21(6-7-23(22)35-17)33-16-20(32)14-30-8-10-31(11-9-30)15-24-28-25(34-29-24)19-4-2-18(13-26)3-5-19/h2-7,12,20,32H,8-11,14-16H2,1H3/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138615
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc5cccnc45)CC3)ccc2s1 Show InChI InChI=1S/C26H29N5O3S/c1-18-28-23-14-21(7-8-24(23)35-18)34-17-20(32)15-30-10-12-31(13-11-30)16-25(33)29-22-6-2-4-19-5-3-9-27-26(19)22/h2-9,14,20,32H,10-13,15-17H2,1H3,(H,29,33)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138610
(2-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-ylo...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc5ncccc45)CC3)ccc2s1 Show InChI InChI=1S/C26H29N5O3S/c1-18-28-24-14-20(7-8-25(24)35-18)34-17-19(32)15-30-10-12-31(13-11-30)16-26(33)29-23-6-2-5-22-21(23)4-3-9-27-22/h2-9,14,19,32H,10-13,15-17H2,1H3,(H,29,33)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50156439
((R)-1-(2-Methyl-benzothiazol-5-yloxy)-3-{4-[5-(4-t...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nnc(o4)-c4ccc(cc4)C(F)(F)F)CC3)ccc2s1 Show InChI InChI=1S/C25H26F3N5O3S/c1-16-29-21-12-20(6-7-22(21)37-16)35-15-19(34)13-32-8-10-33(11-9-32)14-23-30-31-24(36-23)17-2-4-18(5-3-17)25(26,27)28/h2-7,12,19,34H,8-11,13-15H2,1H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria |
Bioorg Med Chem Lett 14: 6017-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.077
BindingDB Entry DOI: 10.7270/Q2ZS2W0R |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138601
(CHEMBL153122 | N-Cyclohexylmethyl-2-{4-[(R)-2-hydr...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)NCC4CCCCC4)CC3)ccc2s1 Show InChI InChI=1S/C24H36N4O3S/c1-18-26-22-13-21(7-8-23(22)32-18)31-17-20(29)15-27-9-11-28(12-10-27)16-24(30)25-14-19-5-3-2-4-6-19/h7-8,13,19-20,29H,2-6,9-12,14-17H2,1H3,(H,25,30)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138600
(CHEMBL152941 | N-Benzo[1,2,5]thiadiazol-4-yl-2-{4-...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc5nsnc45)CC3)ccc2s1 Show InChI InChI=1S/C23H26N6O3S2/c1-15-24-20-11-17(5-6-21(20)33-15)32-14-16(30)12-28-7-9-29(10-8-28)13-22(31)25-18-3-2-4-19-23(18)27-34-26-19/h2-6,11,16,30H,7-10,12-14H2,1H3,(H,25,31)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50138602
(CHEMBL152968 | N-Biphenyl-3-yl-2-{4-[(R)-2-hydroxy...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(c4)-c4ccccc4)CC3)ccc2s1 Show InChI InChI=1S/C29H32N4O3S/c1-21-30-27-17-26(10-11-28(27)37-21)36-20-25(34)18-32-12-14-33(15-13-32)19-29(35)31-24-9-5-8-23(16-24)22-6-3-2-4-7-22/h2-11,16-17,25,34H,12-15,18-20H2,1H3,(H,31,35)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of cytochrome P450 1A2 of isolated guinea pig heart |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
Peroxisomal acyl-coenzyme A oxidase 1
(Rattus norvegicus) | BDBM50138631
(CHEMBL153650 | N-(3,4-Dichloro-phenyl)-2-{4-[(R)-2...)Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(Cl)c(Cl)c4)CC3)ccc2s1 Show InChI InChI=1S/C23H26Cl2N4O3S/c1-15-26-21-11-18(3-5-22(21)33-15)32-14-17(30)12-28-6-8-29(9-7-28)13-23(31)27-16-2-4-19(24)20(25)10-16/h2-5,10-11,17,30H,6-9,12-14H2,1H3,(H,27,31)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics
Curated by ChEMBL
| Assay Description
Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation. |
Bioorg Med Chem Lett 14: 549-52 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HD4 |
More data for this
Ligand-Target Pair | |
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