BindingDB logo
myBDB logout

BDBM477607 4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyridine-2-carboxamide::US10889564, Example 37

SMILES: Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1cc(Br)ccn1

InChI Key: InChIKey=CPQPLJPWRQGPBK-OAHLLOKOSA-N

Data: 2 IC50

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 = 477607   
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


(Homo sapiens (Human))
BDBM477607
PNG
(4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahy...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1cc(Br)ccn1 |r|
Show InChI InChI=1S/C19H16BrFN4O/c20-12-8-9-22-16(10-12)19(26)24-15-5-3-7-17-13(15)11-23-25(17)18-6-2-1-4-14(18)21/h1-2,4,6,8-11,15H,3,5,7H2,(H,24,26)/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 26n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay


J Med Chem 63: 3915-3934 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477607
PNG
(4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahy...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1cc(Br)ccn1 |r|
Show InChI InChI=1S/C19H16BrFN4O/c20-12-8-9-22-16(10-12)19(26)24-15-5-3-7-17-13(15)11-23-25(17)18-6-2-1-4-14(18)21/h1-2,4,6,8-11,15H,3,5,7H2,(H,24,26)/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 39n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair