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BDBM50188903 CHEMBL3827612

SMILES: CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1

InChI Key: InChIKey=LHUYFNVIMYCDID-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50188903   
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))
BDBM50188903
PNG
(CHEMBL3827612)
Show SMILES CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C24H28N10O3/c1-3-34-18(14-32(2)24-26-12-16(13-27-24)23(35)31-36)28-19-21(33-8-10-37-11-9-33)29-20(30-22(19)34)15-4-6-17(25)7-5-15/h4-7,12-13,36H,3,8-11,14,25H2,1-2H3,(H,31,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



West China Hospital of Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...


J Med Chem 59: 5488-504 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00579
BindingDB Entry DOI: 10.7270/Q2T155K0
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50188903
PNG
(CHEMBL3827612)
Show SMILES CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C24H28N10O3/c1-3-34-18(14-32(2)24-26-12-16(13-27-24)23(35)31-36)28-19-21(33-8-10-37-11-9-33)29-20(30-22(19)34)15-4-6-17(25)7-5-15/h4-7,12-13,36H,3,8-11,14,25H2,1-2H3,(H,31,35)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



West China Hospital of Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human His-tagged p110 alpha/p85 alpha expressed in baculovirus expression system incubated for 1 hr by kinase-g...


J Med Chem 59: 5488-504 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00579
BindingDB Entry DOI: 10.7270/Q2T155K0
More data for this
Ligand-Target Pair