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SMILES: COC1CCC(CC1)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1

InChI Key: InChIKey=KQYJVNIVENJSNS-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 1 hit for monomerid = 303432   
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))		BDBM303432
PNG
(US10138222, Example 160)
Show SMILES COC1CCC(CC1)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1 |(-4.57,-12.55,;-5.66,-11.46,;-5.26,-9.97,;-6.35,-8.88,;-5.95,-7.39,;-4.46,-7,;-3.37,-8.09,;-3.77,-9.57,;-4.06,-5.51,;-5.15,-4.42,;-4.75,-2.93,;-3.27,-2.53,;-2.18,-3.62,;-2.58,-5.11,;-2.87,-1.05,;-1.38,-.65,;-.29,-1.74,;1.2,-1.34,;1.59,.15,;.51,1.24,;-.98,.84,;.9,2.73,;-0,3.97,;.9,5.22,;2.37,4.74,;2.37,3.2,;.51,6.7,;1.59,7.79,;1.2,9.28,;-.29,9.68,;-1.38,8.59,;-.98,7.1,;-2.07,6.01,;2.28,10.37,;1.89,11.86,;3.77,9.97,;4.86,11.06,;6.35,11.46,;5.26,12.55,)|
Show InChI InChI=1S/C31H40N6O2/c1-21-3-4-22(31(38)35-24-5-6-24)15-30(21)23-17-33-37(20-23)28-16-26(18-32-19-28)34-25-11-13-36(14-12-25)27-7-9-29(39-2)10-8-27/h3-4,15-20,24-25,27,29,34H,5-14H2,1-2H3,(H,35,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/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