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BDBM50360740 CHEMBL1934476

SMILES: Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1

InChI Key: InChIKey=UEIFAMIUBPSKHA-SFHVURJKSA-N

Data: 17 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50360740   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma expressed in CHO-K1 cells


Bioorg Med Chem Lett 22: 334-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.002
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in CHO-K1 cells


Bioorg Med Chem Lett 22: 334-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.002
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Transactivation of human PPARdelta expressed in CHO-K1 cells


Bioorg Med Chem Lett 22: 334-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.002
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 1.30E+4n/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARdelta (unknown origin)


Bioorg Med Chem Lett 25: 270-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.052
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 6.60E+3n/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARgamma (unknown origin)


Bioorg Med Chem Lett 25: 270-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.052
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARalpha ligand-binding domain (unknown origin) expressed in HEK293T cells incubated for 16 to 19 hrs by beta-lactam...


Bioorg Med Chem Lett 25: 270-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.052
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 9.60E+3n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma expressed in CHO-K1 cells


Bioorg Med Chem Lett 22: 334-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.002
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a>4.20E+3n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Transactivation of human PPARdelta expressed in CHO-K1 cells


Bioorg Med Chem Lett 22: 334-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.002
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 190n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at dog PPARalpha


Bioorg Med Chem Lett 22: 334-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.002
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Canis familiaris)
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 1.10E+4n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at dog PPARgamma


Bioorg Med Chem Lett 22: 334-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.002
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Canis familiaris)
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 2.70E+3n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at dog PPARdelta


Bioorg Med Chem Lett 22: 334-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.002
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Rattus norvegicus)
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 3.60E+3n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha


Bioorg Med Chem Lett 22: 334-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.002
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Rattus norvegicus)
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 1.30E+4n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARgamma


Bioorg Med Chem Lett 22: 334-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.002
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 4.70E+3n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha


Bioorg Med Chem Lett 22: 334-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.002
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 1.20E+4n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma


Bioorg Med Chem Lett 22: 334-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.002
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 6.60E+3n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta


Bioorg Med Chem Lett 22: 334-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.002
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 8n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in CHO-K1 cells


Bioorg Med Chem Lett 22: 334-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.002
More data for this
Ligand-Target Pair