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SMILES: CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)Nc1ccc(CC(O)=O)c(F)c1

InChI Key: InChIKey=WLQSNHZOLRYYIR-UHFFFAOYSA-N

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 4 hits for monomerid = 476226   
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
Cytochrome P450 26A1


(Homo sapiens (Human))
BDBM476226
PNG
(US10874634, Cmpd No. 09)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)Nc1ccc(CC(O)=O)c(F)c1
Show InChI InChI=1S/C22H26FNO4S/c1-21(2)9-10-22(3,4)18-13-16(7-8-17(18)21)29(27,28)24-15-6-5-14(11-20(25)26)19(23)12-15/h5-8,12-13,24H,9-11H2,1-4H3,(H,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20E+3n/an/an/an/an/an/a



Queen''s University at Kingston

US Patent


Assay Description
CYP26A1 or CYP26B1 stably transfected HeLa cells were maintained in Minimum Essential Medium (MEM) containing 10% fetal bovine serum (FBS) and 100 &#...


US Patent US10874634 (2020)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
US11364220, Compound 09
PNG
(US10874634, Cmpd No. 09)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)Nc1ccc(CC(O)=O)c(F)c1
Show InChI InChI=1S/C22H26FNO4S/c1-21(2)9-10-22(3,4)18-13-16(7-8-17(18)21)29(27,28)24-15-6-5-14(11-20(25)26)19(23)12-15/h5-8,12-13,24H,9-11H2,1-4H3,(H,25,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.42E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 26A1


(Homo sapiens (Human))
US11364220, Compound 09
PNG
(US10874634, Cmpd No. 09)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)Nc1ccc(CC(O)=O)c(F)c1
Show InChI InChI=1S/C22H26FNO4S/c1-21(2)9-10-22(3,4)18-13-16(7-8-17(18)21)29(27,28)24-15-6-5-14(11-20(25)26)19(23)12-15/h5-8,12-13,24H,9-11H2,1-4H3,(H,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.20E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM476226
PNG
(US10874634, Cmpd No. 09)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)Nc1ccc(CC(O)=O)c(F)c1
Show InChI InChI=1S/C22H26FNO4S/c1-21(2)9-10-22(3,4)18-13-16(7-8-17(18)21)29(27,28)24-15-6-5-14(11-20(25)26)19(23)12-15/h5-8,12-13,24H,9-11H2,1-4H3,(H,25,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.42E+4n/an/an/an/an/an/a



Queen''s University at Kingston

US Patent


Assay Description
CYP26A1 or CYP26B1 stably transfected HeLa cells were maintained in Minimum Essential Medium (MEM) containing 10% fetal bovine serum (FBS) and 100 &#...


US Patent US10874634 (2020)

More data for this
Ligand-Target Pair