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SMILES: Cc1ncc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1

InChI Key: InChIKey=VKNDFKHJWONMCW-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 3 hits for monomerid = 445802   
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
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM445802
PNG
(US10669240, Compound 98)
Show SMILES Cc1ncc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1
Show InChI InChI=1S/C24H25N7O/c1-16-26-13-20(14-27-16)28-24(32)23-21-10-18(5-6-22(21)29-30-23)19-9-17(11-25-12-19)15-31-7-3-2-4-8-31/h5-6,9-14H,2-4,7-8,15H2,1H3,(H,28,32)(H,29,30)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/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
Pulmonary surfactant-associated protein A1


(Human)
BDBM445802
PNG
(US10669240, Compound 98)
Show SMILES Cc1ncc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1
Show InChI InChI=1S/C24H25N7O/c1-16-26-13-20(14-27-16)28-24(32)23-21-10-18(5-6-22(21)29-30-23)19-9-17(11-25-12-19)15-31-7-3-2-4-8-31/h5-6,9-14H,2-4,7-8,15H2,1H3,(H,28,32)(H,29,30)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 202n/an/an/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 8-point dose-response curves f...


US Patent US10669240 (2020)


BindingDB Entry DOI: 10.7270/Q2HQ42ZD
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM445802
PNG
(US10669240, Compound 98)
Show SMILES Cc1ncc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1
Show InChI InChI=1S/C24H25N7O/c1-16-26-13-20(14-27-16)28-24(32)23-21-10-18(5-6-22(21)29-30-23)19-9-17(11-25-12-19)15-31-7-3-2-4-8-31/h5-6,9-14H,2-4,7-8,15H2,1H3,(H,28,32)(H,29,30)
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 1n/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