Found 4 hits for monomerid = 50362972 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Peroxisome proliferator-activated receptor
(Homo sapiens (Human)) | BDBM50362972
(CHEMBL1946571)Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4c(C)cccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O |r,wU:1.0,(3.41,-20.44,;3.38,-18.9,;2.03,-18.16,;.71,-18.95,;-.63,-18.21,;-1.94,-19.01,;-3.29,-18.26,;-3.31,-16.72,;-4.78,-16.25,;-6.12,-17.03,;-7.46,-16.26,;-7.45,-14.72,;-6.12,-13.94,;-4.79,-14.71,;-3.33,-14.22,;-2.56,-12.89,;-3.46,-11.64,;-2.55,-10.4,;-1.09,-10.89,;.25,-10.13,;.25,-8.59,;1.58,-10.9,;1.57,-12.45,;.23,-13.21,;-1.1,-12.43,;-2.41,-15.47,;-.87,-15.46,;-8.79,-17.03,;-10.12,-16.26,;-8.79,-18.57,;-10.13,-17.79,;-1.92,-20.54,;-.58,-21.29,;.74,-20.5,;2.09,-21.25,;4.7,-18.1,;6.05,-18.84,;4.67,-16.56,)| Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-4-3-5-17-22(13)38-31-23(17)33-19-9-7-16(26(28,29)30)11-20(19)32(25(33)36)12-15-6-8-18(27)21(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human PPARgamma by scintillation proximity assay |
J Med Chem 54: 8541-54 (2011)
Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50362972
(CHEMBL1946571)Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4c(C)cccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O |r,wU:1.0,(3.41,-20.44,;3.38,-18.9,;2.03,-18.16,;.71,-18.95,;-.63,-18.21,;-1.94,-19.01,;-3.29,-18.26,;-3.31,-16.72,;-4.78,-16.25,;-6.12,-17.03,;-7.46,-16.26,;-7.45,-14.72,;-6.12,-13.94,;-4.79,-14.71,;-3.33,-14.22,;-2.56,-12.89,;-3.46,-11.64,;-2.55,-10.4,;-1.09,-10.89,;.25,-10.13,;.25,-8.59,;1.58,-10.9,;1.57,-12.45,;.23,-13.21,;-1.1,-12.43,;-2.41,-15.47,;-.87,-15.46,;-8.79,-17.03,;-10.12,-16.26,;-8.79,-18.57,;-10.13,-17.79,;-1.92,-20.54,;-.58,-21.29,;.74,-20.5,;2.09,-21.25,;4.7,-18.1,;6.05,-18.84,;4.67,-16.56,)| Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-4-3-5-17-22(13)38-31-23(17)33-19-9-7-16(26(28,29)30)11-20(19)32(25(33)36)12-15-6-8-18(27)21(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to PPARdelta by scintillation proximity assay |
J Med Chem 54: 8541-54 (2011)
Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha (PPAR alpha)
(Homo sapiens (Human)) | BDBM50362972
(CHEMBL1946571)Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4c(C)cccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O |r,wU:1.0,(3.41,-20.44,;3.38,-18.9,;2.03,-18.16,;.71,-18.95,;-.63,-18.21,;-1.94,-19.01,;-3.29,-18.26,;-3.31,-16.72,;-4.78,-16.25,;-6.12,-17.03,;-7.46,-16.26,;-7.45,-14.72,;-6.12,-13.94,;-4.79,-14.71,;-3.33,-14.22,;-2.56,-12.89,;-3.46,-11.64,;-2.55,-10.4,;-1.09,-10.89,;.25,-10.13,;.25,-8.59,;1.58,-10.9,;1.57,-12.45,;.23,-13.21,;-1.1,-12.43,;-2.41,-15.47,;-.87,-15.46,;-8.79,-17.03,;-10.12,-16.26,;-8.79,-18.57,;-10.13,-17.79,;-1.92,-20.54,;-.58,-21.29,;.74,-20.5,;2.09,-21.25,;4.7,-18.1,;6.05,-18.84,;4.67,-16.56,)| Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-4-3-5-17-22(13)38-31-23(17)33-19-9-7-16(26(28,29)30)11-20(19)32(25(33)36)12-15-6-8-18(27)21(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay |
J Med Chem 54: 8541-54 (2011)
Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor
(Homo sapiens (Human)) | BDBM50362972
(CHEMBL1946571)Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4c(C)cccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O |r,wU:1.0,(3.41,-20.44,;3.38,-18.9,;2.03,-18.16,;.71,-18.95,;-.63,-18.21,;-1.94,-19.01,;-3.29,-18.26,;-3.31,-16.72,;-4.78,-16.25,;-6.12,-17.03,;-7.46,-16.26,;-7.45,-14.72,;-6.12,-13.94,;-4.79,-14.71,;-3.33,-14.22,;-2.56,-12.89,;-3.46,-11.64,;-2.55,-10.4,;-1.09,-10.89,;.25,-10.13,;.25,-8.59,;1.58,-10.9,;1.57,-12.45,;.23,-13.21,;-1.1,-12.43,;-2.41,-15.47,;-.87,-15.46,;-8.79,-17.03,;-10.12,-16.26,;-8.79,-18.57,;-10.13,-17.79,;-1.92,-20.54,;-.58,-21.29,;.74,-20.5,;2.09,-21.25,;4.7,-18.1,;6.05,-18.84,;4.67,-16.56,)| Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-4-3-5-17-22(13)38-31-23(17)33-19-9-7-16(26(28,29)30)11-20(19)32(25(33)36)12-15-6-8-18(27)21(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay |
J Med Chem 54: 8541-54 (2011)
Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11 |
More data for this
Ligand-Target Pair | |
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