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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for UniProtKB: P98187   
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


(Homo sapiens (Human))
BDBM50508661
PNG
(CHEMBL4524830)
Show SMILES Cn1cc(C2CCCCC2)c2cc(F)c(cc12)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C19H23FN2O3S/c1-22-11-16(12-5-3-2-4-6-12)14-9-17(20)15(10-18(14)22)19(23)21-26(24,25)13-7-8-13/h9-13H,2-8H2,1H3,(H,21,23)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP450


Bioorg Med Chem Lett 29: 659-663 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.013
BindingDB Entry DOI: 10.7270/Q2K64NC8
More data for this
Ligand-Target Pair
Cytochrome P450 4F8


(Homo sapiens)
BDBM50527963
PNG
(CHEMBL4557940)
Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12
Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of CYP4F8 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using Luc-BE as substrate preincubated with NAD...


J Med Chem 63: 4824-4836 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00101
BindingDB Entry DOI: 10.7270/Q2HT2SS4
More data for this
Ligand-Target Pair
Cytochrome P450 4F8


(Homo sapiens)
BDBM50527963
PNG
(CHEMBL4557940)
Show SMILES OC(=O)CCCCCCCNn1nnc2ccccc12
Show InChI InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.10E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of CYP4F8 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using Luc-BE as substrate after 10 mins in pres...


J Med Chem 63: 4824-4836 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00101
BindingDB Entry DOI: 10.7270/Q2HT2SS4
More data for this
Ligand-Target Pair
Cytochrome P450 4F8


(Homo sapiens)
BDBM50527962
PNG
(CHEMBL4442292)
Show SMILES OC(=O)CCCCCNn1nnc2ccccc12
Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.33E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of CYP4F8 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using Luc-BE as substrate preincubated with NAD...


J Med Chem 63: 4824-4836 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00101
BindingDB Entry DOI: 10.7270/Q2HT2SS4
More data for this
Ligand-Target Pair
Cytochrome P450 4F8


(Homo sapiens)
BDBM50527962
PNG
(CHEMBL4442292)
Show SMILES OC(=O)CCCCCNn1nnc2ccccc12
Show InChI InChI=1S/C12H16N4O2/c17-12(18)8-2-1-5-9-13-16-11-7-4-3-6-10(11)14-15-16/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,18)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of CYP4F8 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using Luc-BE as substrate after 10 mins in pres...


J Med Chem 63: 4824-4836 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00101
BindingDB Entry DOI: 10.7270/Q2HT2SS4
More data for this
Ligand-Target Pair