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BDBM50360754 CHEMBL1934314

SMILES: Cc1nc(sc1C(=O)NCC1CN(CCO1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1

InChI Key: InChIKey=XNEFKBAVEVBCFU-UHFFFAOYNA-N

Data: 3 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 3 hits for monomerid = 50360754   
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))
BDBM50360754
PNG
(CHEMBL1934314)
Show SMILES Cc1nc(sc1C(=O)NCC1CN(CCO1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1/C23H22ClN3O4S/c1-14-20(32-22(26-14)15-5-7-17(24)8-6-15)21(28)25-12-19-13-27(9-10-31-19)18-4-2-3-16(11-18)23(29)30/h2-8,11,19H,9-10,12-13H2,1H3,(H,25,28)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.50E+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
BindingDB Entry DOI: 10.7270/Q2G73F54
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50360754
PNG
(CHEMBL1934314)
Show SMILES Cc1nc(sc1C(=O)NCC1CN(CCO1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1/C23H22ClN3O4S/c1-14-20(32-22(26-14)15-5-7-17(24)8-6-15)21(28)25-12-19-13-27(9-10-31-19)18-4-2-3-16(11-18)23(29)30/h2-8,11,19H,9-10,12-13H2,1H3,(H,25,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 810n/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
BindingDB Entry DOI: 10.7270/Q2G73F54
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50360754
PNG
(CHEMBL1934314)
Show SMILES Cc1nc(sc1C(=O)NCC1CN(CCO1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1/C23H22ClN3O4S/c1-14-20(32-22(26-14)15-5-7-17(24)8-6-15)21(28)25-12-19-13-27(9-10-31-19)18-4-2-3-16(11-18)23(29)30/h2-8,11,19H,9-10,12-13H2,1H3,(H,25,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.70E+4n/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
BindingDB Entry DOI: 10.7270/Q2G73F54
More data for this
Ligand-Target Pair