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SMILES: CN1CCC(CC1)Nc1ncc(cn1)C(=O)Nc1cc(ccc1N)-c1ccccc1

InChI Key: InChIKey=YMJDCXLJLAMIMI-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 = 347508   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM347508
PNG
(US9790180, ID 040)
Show SMILES CN1CCC(CC1)Nc1ncc(cn1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C23H26N6O/c1-29-11-9-19(10-12-29)27-23-25-14-18(15-26-23)22(30)28-21-13-17(7-8-20(21)24)16-5-3-2-4-6-16/h2-8,13-15,19H,9-12,24H2,1H3,(H,28,30)(H,25,26,27)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
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US Patent
n/an/a 8n/an/an/an/an/an/a



REGENACY PHARMACEUTICALS, LLC

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US9790180 (2017)


BindingDB Entry DOI: 10.7270/Q2GF0WM8
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM347508
PNG
(US9790180, ID 040)
Show SMILES CN1CCC(CC1)Nc1ncc(cn1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C23H26N6O/c1-29-11-9-19(10-12-29)27-23-25-14-18(15-26-23)22(30)28-21-13-17(7-8-20(21)24)16-5-3-2-4-6-16/h2-8,13-15,19H,9-12,24H2,1H3,(H,28,30)(H,25,26,27)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 277n/an/an/an/an/an/a



REGENACY PHARMACEUTICALS, LLC

US Patent




US Patent US9790180 (2017)


BindingDB Entry DOI: 10.7270/Q2GF0WM8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM347508
PNG
(US9790180, ID 040)
Show SMILES CN1CCC(CC1)Nc1ncc(cn1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C23H26N6O/c1-29-11-9-19(10-12-29)27-23-25-14-18(15-26-23)22(30)28-21-13-17(7-8-20(21)24)16-5-3-2-4-6-16/h2-8,13-15,19H,9-12,24H2,1H3,(H,28,30)(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 39n/an/an/an/an/an/a



REGENACY PHARMACEUTICALS, LLC

US Patent




US Patent US9790180 (2017)


BindingDB Entry DOI: 10.7270/Q2GF0WM8
More data for this
Ligand-Target Pair