BindingDB logo
myBDB logout

BDBM16114 3-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}thiophene-2-carboxylic acid::Biphenyl-4-ylcarbamoyl Thiophene Analog 5::Compound 6

SMILES: COc1cccc(c1)-c1ccc(NC(=O)c2ccsc2C(O)=O)c(F)c1

InChI Key: InChIKey=GIUMGVUBDBDTDX-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 2 hits for monomerid = 16114   
Target
(Institution)
LigandTarget
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 (DHODH)


(Homo sapiens (human))
BDBM16114
PNG
(3-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}t...)
Show SMILES COc1cccc(c1)-c1ccc(NC(=O)c2ccsc2C(O)=O)c(F)c1
Show InChI InChI=1S/C19H14FNO4S/c1-25-13-4-2-3-11(9-13)12-5-6-16(15(20)10-12)21-18(22)14-7-8-26-17(14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a 44n/an/an/an/a8.025



4SC AG



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Bioorg Med Chem Lett 16: 267-70 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM16114
PNG
(3-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}t...)
Show SMILES COc1cccc(c1)-c1ccc(NC(=O)c2ccsc2C(O)=O)c(F)c1
Show InChI InChI=1S/C19H14FNO4S/c1-25-13-4-2-3-11(9-13)12-5-6-16(15(20)10-12)21-18(22)14-7-8-26-17(14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 44n/an/an/an/a8.030



4SC AG



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 49: 1239-47 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)