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SMILES: Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2COC2)c1)C(=O)NC1CC1

InChI Key: InChIKey=DUJQLTGBCIXIMJ-UHFFFAOYSA-N

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 = 303364   
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
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM303364
PNG
(BDBM303369 | US10138222, Example 79)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2COC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C27H32N6O2/c1-18-2-3-19(27(34)31-21-4-5-21)10-26(18)20-12-29-33(15-20)24-11-23(13-28-14-24)30-22-6-8-32(9-7-22)25-16-35-17-25/h2-3,10-15,21-22,25,30H,4-9,16-17H2,1H3,(H,31,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.810n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM303364
PNG
(BDBM303369 | US10138222, Example 79)
Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2COC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C27H32N6O2/c1-18-2-3-19(27(34)31-21-4-5-21)10-26(18)20-12-29-33(15-20)24-11-23(13-28-14-24)30-22-6-8-32(9-7-22)25-16-35-17-25/h2-3,10-15,21-22,25,30H,4-9,16-17H2,1H3,(H,31,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...


US Patent US10138222 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QS2
More data for this
Ligand-Target Pair