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SMILES: Cc1cc(C)c(CN2CCN(CC2)C(=O)Cn2cnc3c(NCc4ccccc4)ncnc23)c(C)c1

InChI Key: InChIKey=PBJHRNPBEIJPHJ-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 = 97170   
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
COUP transcription factor 2


(Homo sapiens (Human))
BDBM97170
PNG
(2-[6-(benzylamino)purin-9-yl]-1-[4-(2,4,6-trimethy...)
Show SMILES Cc1cc(C)c(CN2CCN(CC2)C(=O)Cn2cnc3c(NCc4ccccc4)ncnc23)c(C)c1
Show InChI InChI=1S/C28H33N7O/c1-20-13-21(2)24(22(3)14-20)16-33-9-11-34(12-10-33)25(36)17-35-19-32-26-27(30-18-31-28(26)35)29-15-23-7-5-4-6-8-23/h4-8,13-14,18-19H,9-12,15-17H2,1-3H3,(H,29,30,31)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.71E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21Z431S
More data for this
Ligand-Target Pair
Tegument protein VP16


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM97170
PNG
(2-[6-(benzylamino)purin-9-yl]-1-[4-(2,4,6-trimethy...)
Show SMILES Cc1cc(C)c(CN2CCN(CC2)C(=O)Cn2cnc3c(NCc4ccccc4)ncnc23)c(C)c1
Show InChI InChI=1S/C28H33N7O/c1-20-13-21(2)24(22(3)14-20)16-33-9-11-34(12-10-33)25(36)17-35-19-32-26-27(30-18-31-28(26)35)29-15-23-7-5-4-6-8-23/h4-8,13-14,18-19H,9-12,15-17H2,1-3H3,(H,29,30,31)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Galanin receptor type 3


(Homo sapiens (Human))
BDBM97170
PNG
(2-[6-(benzylamino)purin-9-yl]-1-[4-(2,4,6-trimethy...)
Show SMILES Cc1cc(C)c(CN2CCN(CC2)C(=O)Cn2cnc3c(NCc4ccccc4)ncnc23)c(C)c1
Show InChI InChI=1S/C28H33N7O/c1-20-13-21(2)24(22(3)14-20)16-33-9-11-34(12-10-33)25(36)17-35-19-32-26-27(30-18-31-28(26)35)29-15-23-7-5-4-6-8-23/h4-8,13-14,18-19H,9-12,15-17H2,1-3H3,(H,29,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 363n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair