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SMILES: CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cc(O)cc2Cl)c1=O

InChI Key: InChIKey=CWVIGQZLBJGOPS-VIFPVBQESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 470532   
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
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM470532
PNG
(N-(2-chloro-6-fluoro-4-hydroxyphenyl)-4-[4-ethyl-3...)
Show SMILES CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cc(O)cc2Cl)c1=O |r|
Show InChI InChI=1S/C21H18ClF5N4O5/c1-3-30-17(8-32)29-31(20(30)35)15-7-16(36-9(2)21(25,26)27)11(6-13(15)23)19(34)28-18-12(22)4-10(33)5-14(18)24/h4-7,9,32-33H,3,8H2,1-2H3,(H,28,34)/t9-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM470532
PNG
(N-(2-chloro-6-fluoro-4-hydroxyphenyl)-4-[4-ethyl-3...)
Show SMILES CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cc(O)cc2Cl)c1=O |r|
Show InChI InChI=1S/C21H18ClF5N4O5/c1-3-30-17(8-32)29-31(20(30)35)15-7-16(36-9(2)21(25,26)27)11(6-13(15)23)19(34)28-18-12(22)4-10(33)5-14(18)24/h4-7,9,32-33H,3,8H2,1-2H3,(H,28,34)/t9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.30n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair