BDBM50359691 CHEMBL1929435
SMILES: CCC(=O)C(C#N)C(=O)Nc1ccc(-c2ccc(F)cc2)c(c1)C(=O)OC
InChI Key: InChIKey=UUNRZXKOFRXNBW-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50359691 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 |
|---|
Dihydroorotate Dehydrogenase (DHODH)
(Rattus norvegicus (rat)) | BDBM50359691
(CHEMBL1929435)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2ccc(F)cc2)c(c1)C(=O)OC Show InChI InChI=1S/C20H17FN2O4/c1-3-18(24)17(11-22)19(25)23-14-8-9-15(16(10-14)20(26)27-2)12-4-6-13(21)7-5-12/h4-10,17H,3H2,1-2H3,(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of rat dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase
(Homo sapiens (Human)) | BDBM50359691
(CHEMBL1929435)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2ccc(F)cc2)c(c1)C(=O)OC Show InChI InChI=1S/C20H17FN2O4/c1-3-18(24)17(11-22)19(25)23-14-8-9-15(16(10-14)20(26)27-2)12-4-6-13(21)7-5-12/h4-10,17H,3H2,1-2H3,(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
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