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SMILES: Cn1cc(cn1)-c1cccc(c1)-c1cnc(N)c(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2

InChI Key: InChIKey=KADWYJUBGMHRCN-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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 = 50237234   
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50237234
PNG
(CHEMBL4103500)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1cnc(N)c(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |TLB:21:22:28:25.26.31,30:29:22:25.24.26,THB:24:23:28:25.26.31,24:25:28:22.23.32,31:29:22:25.24.26,31:25:22:29.28.32,(1.65,-17.33,;2.55,-18.58,;2.08,-20.05,;3.32,-20.95,;4.57,-20.05,;4.09,-18.58,;3.32,-22.48,;1.99,-23.25,;1.99,-24.8,;3.33,-25.57,;4.65,-24.8,;4.66,-23.25,;5.98,-25.57,;5.98,-27.11,;7.32,-27.88,;8.66,-27.11,;9.99,-27.88,;8.65,-25.56,;7.31,-24.8,;9.98,-24.78,;11.32,-25.55,;9.97,-23.24,;11.3,-22.47,;12.8,-22.05,;14.21,-22.61,;15.22,-21.34,;13.82,-21.68,;12.5,-21.19,;12.49,-19.7,;13.83,-19.23,;13.82,-17.69,;15.24,-19.81,;12.8,-20.47,)|
Show InChI InChI=1S/C25H28N6O2/c1-31-13-19(11-28-31)15-3-2-4-16(7-15)20-12-27-23(26)22(29-20)24(32)30-21-17-5-14-6-18(21)10-25(33,8-14)9-17/h2-4,7,11-14,17-18,21,33H,5-6,8-10H2,1H3,(H2,26,27)(H,30,32)
PDB
MMDB

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PC cid
PC sid
PDB
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PDB
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 25 m...


Bioorg Med Chem Lett 27: 1776-1779 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.060
BindingDB Entry DOI: 10.7270/Q2H41TQC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)