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BDBM371854 2-(4-Oxo-1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-carbonyl)-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide::US10239876, Example 18::US10435407, Example 18

SMILES: FC(F)(F)CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3nnnn3c2)C1=O

InChI Key: InChIKey=NESXQYLWGBOEGN-UHFFFAOYSA-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 = 371854   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM371854
PNG
(2-(4-Oxo-1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-ca...)
Show SMILES FC(F)(F)CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3nnnn3c2)C1=O
Show InChI InChI=1S/C23H23F3N8O3/c24-23(25,26)14-27-19(35)13-32-15-33(17-4-2-1-3-5-17)22(21(32)37)8-10-31(11-9-22)20(36)16-6-7-18-28-29-30-34(18)12-16/h1-7,12H,8-11,13-15H2,(H,27,35)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.99E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...


US Patent US10435407 (2019)


BindingDB Entry DOI: 10.7270/Q2MP55M4
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM371854
PNG
(2-(4-Oxo-1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-ca...)
Show SMILES FC(F)(F)CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3nnnn3c2)C1=O
Show InChI InChI=1S/C23H23F3N8O3/c24-23(25,26)14-27-19(35)13-32-15-33(17-4-2-1-3-5-17)22(21(32)37)8-10-31(11-9-22)20(36)16-6-7-18-28-29-30-34(18)12-16/h1-7,12H,8-11,13-15H2,(H,27,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.99E+3n/an/an/an/an/an/a



Hoffman-La Roche Inc

US Patent


Assay Description
This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...


US Patent US10239876 (2019)


BindingDB Entry DOI: 10.7270/Q2D220ZB
More data for this
Ligand-Target Pair