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SMILES: CN1CCN(CC(=O)Nc2cc(ccc2Cl)C(=O)Nc2nnc(s2)-c2ccccc2)CC1

InChI Key: InChIKey=IXDRMRQJBIPTLB-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 = 300603   
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
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300603
PNG
(4-chloro-3-{[(4-methylpiperazin-1-yl)acetyl]amino}...)
Show SMILES CN1CCN(CC(=O)Nc2cc(ccc2Cl)C(=O)Nc2nnc(s2)-c2ccccc2)CC1 |$;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;$|
Show InChI InChI=1S/C22H23ClN6O2S/c1-28-9-11-29(12-10-28)14-19(30)24-18-13-16(7-8-17(18)23)20(31)25-22-27-26-21(32-22)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,24,30)(H,25,27,31)
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM300603
PNG
(4-chloro-3-{[(4-methylpiperazin-1-yl)acetyl]amino}...)
Show SMILES CN1CCN(CC(=O)Nc2cc(ccc2Cl)C(=O)Nc2nnc(s2)-c2ccccc2)CC1 |$;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;$|
Show InChI InChI=1S/C22H23ClN6O2S/c1-28-9-11-29(12-10-28)14-19(30)24-18-13-16(7-8-17(18)23)20(31)25-22-27-26-21(32-22)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,24,30)(H,25,27,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 520n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 μL gr...


US Patent US10130633 (2018)


BindingDB Entry DOI: 10.7270/Q2FN188G
More data for this
Ligand-Target Pair