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SMILES: Nc1ccc(cc1NC(=O)c1cnc(NC2CCN(CC2)C(=O)Cc2c[nH]c3ccccc23)nc1)-c1ccccc1

InChI Key: InChIKey=IHNKAMUEKMTRDS-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 = 347503   
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))
BDBM347503
PNG
(US9790180, ID 035)
Show SMILES Nc1ccc(cc1NC(=O)c1cnc(NC2CCN(CC2)C(=O)Cc2c[nH]c3ccccc23)nc1)-c1ccccc1
Show InChI InChI=1S/C32H31N7O2/c33-27-11-10-22(21-6-2-1-3-7-21)16-29(27)38-31(41)24-19-35-32(36-20-24)37-25-12-14-39(15-13-25)30(40)17-23-18-34-28-9-5-4-8-26(23)28/h1-11,16,18-20,25,34H,12-15,17,33H2,(H,38,41)(H,35,36,37)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 22n/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))
BDBM347503
PNG
(US9790180, ID 035)
Show SMILES Nc1ccc(cc1NC(=O)c1cnc(NC2CCN(CC2)C(=O)Cc2c[nH]c3ccccc23)nc1)-c1ccccc1
Show InChI InChI=1S/C32H31N7O2/c33-27-11-10-22(21-6-2-1-3-7-21)16-29(27)38-31(41)24-19-35-32(36-20-24)37-25-12-14-39(15-13-25)30(40)17-23-18-34-28-9-5-4-8-26(23)28/h1-11,16,18-20,25,34H,12-15,17,33H2,(H,38,41)(H,35,36,37)
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UniChem
US Patent
n/an/a 1.40E+3n/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))
BDBM347503
PNG
(US9790180, ID 035)
Show SMILES Nc1ccc(cc1NC(=O)c1cnc(NC2CCN(CC2)C(=O)Cc2c[nH]c3ccccc23)nc1)-c1ccccc1
Show InChI InChI=1S/C32H31N7O2/c33-27-11-10-22(21-6-2-1-3-7-21)16-29(27)38-31(41)24-19-35-32(36-20-24)37-25-12-14-39(15-13-25)30(40)17-23-18-34-28-9-5-4-8-26(23)28/h1-11,16,18-20,25,34H,12-15,17,33H2,(H,38,41)(H,35,36,37)
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 196n/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