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BDBM507035 2-Amino-8-(1,4-dihydroquinazolin-2-yl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide::US11046671, Example 1

SMILES: CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C1=NCc2ccccc2N1

InChI Key: InChIKey=YPFKRHIMKWNXDJ-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 507035   
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
Toll-like receptor 7


(Homo sapiens (Human))
BDBM507035
PNG
(2-Amino-8-(1,4-dihydroquinazolin-2-yl)-N,N-dipropy...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C1=NCc2ccccc2N1
Show InChI InChI=1S/C25H29N5O/c1-3-11-30(12-4-2)25(31)20-13-17-9-10-18(14-22(17)28-23(26)15-20)24-27-16-19-7-5-6-8-21(19)29-24/h5-10,13-14H,3-4,11-12,15-16H2,1-2H3,(H2,26,28)(H,27,29)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells (Invivogen, San Diego, Calif., USA) are used, respectively. These cells are des...


US Patent US11046671 (2021)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM507035
PNG
(2-Amino-8-(1,4-dihydroquinazolin-2-yl)-N,N-dipropy...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C1=NCc2ccccc2N1
Show InChI InChI=1S/C25H29N5O/c1-3-11-30(12-4-2)25(31)20-13-17-9-10-18(14-22(17)28-23(26)15-20)24-27-16-19-7-5-6-8-21(19)29-24/h5-10,13-14H,3-4,11-12,15-16H2,1-2H3,(H2,26,28)(H,27,29)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells (Invivogen, San Diego, Calif., USA) are used, respectively. These cells are des...


US Patent US11046671 (2021)

More data for this
Ligand-Target Pair