new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50015473   
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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156430
PNG
((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
Article
PubMed
n/an/a 120n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156421
PNG
((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
Article
PubMed
n/an/a 130n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156415
PNG
((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
Article
PubMed
n/an/a 180n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156430
PNG
((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
Article
PubMed
n/an/a 180n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156413
PNG
((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
Article
PubMed
n/an/a 250n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156414
PNG
((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
Article
PubMed
n/an/a 380n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156431
PNG
((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
Article
PubMed
n/an/a 550n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156427
PNG
((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

Article
PubMed
n/an/a 570n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156429
PNG
((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
Article
PubMed
n/an/a 950n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156433
PNG
((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
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156423
PNG
((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
Article
PubMed
n/an/a 1.14E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156438
PNG
((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
Article
PubMed
n/an/a 1.23E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156436
PNG
((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
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156419
PNG
((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
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156424
PNG
((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
Article
PubMed
n/an/a 1.53E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156417
PNG
((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
Article
PubMed
n/an/a 1.53E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156441
PNG
((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
Article
PubMed
n/an/a 1.56E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156422
PNG
((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
Article
PubMed
n/an/a 1.71E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156428
PNG
((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
Article
PubMed
n/an/a 2.27E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50138599
PNG
(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
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156435
PNG
((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
Article
PubMed
n/an/a 3.63E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156437
PNG
((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
Article
PubMed
n/an/a 4.12E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156434
PNG
(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
Article
PubMed
n/an/a 4.41E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156439
PNG
((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
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156426
PNG
((R)-1-(2-Methyl-benzothiazol-5-yloxy)-3-[4-(5-m-to...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(n4)-c4cccc(C)c4)CC3)ccc2s1
Show InChI InChI=1S/C25H29N5O3S/c1-17-4-3-5-19(12-17)25-27-24(28-33-25)15-30-10-8-29(9-11-30)14-20(31)16-32-21-6-7-23-22(13-21)26-18(2)34-23/h3-7,12-13,20,31H,8-11,14-16H2,1-2H3/t20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156432
PNG
((R)-1-{4-[3-(4-Chloro-phenyl)-[1,2,4]oxadiazol-5-y...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc(no4)-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(28-33-23)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
Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156416
PNG
((R)-1-{4-[5-(4-Chloro-phenyl)-[1,3,4]oxadiazol-2-y...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nnc(o4)-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)14-23-27-28-24(33-23)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
Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156440
PNG
((R)-1-{2,2-Dimethyl-4-[3-(4-trifluoromethyl-phenyl...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc(no4)-c4ccc(cc4)C(F)(F)F)CC3(C)C)ccc2s1
Show InChI InChI=1S/C27H30F3N5O3S/c1-17-31-22-12-21(8-9-23(22)39-17)37-15-20(36)13-35-11-10-34(16-26(35,2)3)14-24-32-25(33-38-24)18-4-6-19(7-5-18)27(28,29)30/h4-9,12,20,36H,10-11,13-16H2,1-3H3/t20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.70E+3n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156418
PNG
((R)-1-(2-Methyl-benzothiazol-5-yloxy)-3-{4-[2-(4-t...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4coc(n4)-c4ccc(cc4)C(F)(F)F)CC3)ccc2s1
Show InChI InChI=1S/C26H27F3N4O3S/c1-17-30-23-12-22(6-7-24(23)37-17)35-16-21(34)14-33-10-8-32(9-11-33)13-20-15-36-25(31-20)18-2-4-19(5-3-18)26(27,28)29/h2-7,12,15,21,34H,8-11,13-14,16H2,1H3/t21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156420
PNG
(3-(3-{4-[(R)-2-Hydroxy-3-(2-methyl-benzothiazol-5-...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(n4)-c4cccc(c4)C#N)CC3)ccc2s1
Show InChI InChI=1S/C25H26N6O3S/c1-17-27-22-12-21(5-6-23(22)35-17)33-16-20(32)14-30-7-9-31(10-8-30)15-24-28-25(34-29-24)19-4-2-3-18(11-19)13-26/h2-6,11-12,20,32H,7-10,14-16H2,1H3/t20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.34E+4n/an/an/an/an/an/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
Palmitoyl-CoA oxidase


(Rattus norvegicus)
BDBM50156425
PNG
((R)-1-{4-[5-(3-Fluoro-phenyl)-[1,2,4]oxadiazol-3-y...)
Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(n4)-c4cccc(F)c4)CC3)ccc2s1
Show InChI InChI=1S/C24H26FN5O3S/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

Patents

Article
PubMed
n/an/a 1.34E+4n/an/an/an/an/an/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