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SMILES: CN1CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cccnc1

InChI Key: InChIKey=YEBVGOIYHPKGTI-HSZRJFAPSA-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 = 370062   
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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM370062
PNG
(US10669240, Compound 1)
Show SMILES CN1CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C29H29F4N5O5/c1-15(2)23(35-24(39)19-13-17(29(31,32)33)5-7-20(19)30)25(40)37-11-9-28(10-12-37)26(41)36(4)27(42)38(28)18-6-8-22-21(14-18)34-16(3)43-22/h5-8,13-15,23H,9-12H2,1-4H3,(H,35,39)/t23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 65n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
SH-SY5Y cells are cultured in DMEM/F-12 medium supplemented with 15% FBS, Non-essential Amino Acid and Penicillin/Streptamycin. Two days before treat...


US Patent US10669240 (2020)


BindingDB Entry DOI: 10.7270/Q2HQ42ZD
More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM370062
PNG
(US10669240, Compound 1)
Show SMILES CN1CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C29H29F4N5O5/c1-15(2)23(35-24(39)19-13-17(29(31,32)33)5-7-20(19)30)25(40)37-11-9-28(10-12-37)26(41)36(4)27(42)38(28)18-6-8-22-21(14-18)34-16(3)43-22/h5-8,13-15,23H,9-12H2,1-4H3,(H,35,39)/t23-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30E+3n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a W...


US Patent US10669240 (2020)


BindingDB Entry DOI: 10.7270/Q2HQ42ZD
More data for this
Ligand-Target Pair