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US8551988, 13

SMILES: OCCCn1c(nc2cc(\C=C\C(=O)NO)ccc12)-c1ccccn1

InChI Key: InChIKey=IKNHRCJRYGVRLA-SOFGYWHQSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match
png missing

Other Databases links: PubChem cid PubChem sid ZINC 0

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 103543    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
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 8 (HDAC8)


(Homo sapiens (Human))
US8551988, 13
PNG
Show SMILES OCCCn1c(nc2cc(\C=C\C(=O)NO)ccc12)-c1ccccn1
Show InChI InChI=1S/C18H18N4O3/c23-11-3-10-22-16-7-5-13(6-8-17(24)21-25)12-15(16)20-18(22)14-4-1-2-9-19-14/h1-2,4-9,12,23,25H,3,10-11H2,(H,21,24)/b8-6+
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
Antibodypedia

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
ZINC 0

Similars

AffyNet 
US Patent
n/an/a 141.0n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)

More data for this
Ligand-Target Pair
Histone deacetylase 1 (HDAC1)


(Homo sapiens (Human))
US8551988, 13
PNG
Show SMILES OCCCn1c(nc2cc(\C=C\C(=O)NO)ccc12)-c1ccccn1
Show InChI InChI=1S/C18H18N4O3/c23-11-3-10-22-16-7-5-13(6-8-17(24)21-25)12-15(16)20-18(22)14-4-1-2-9-19-14/h1-2,4-9,12,23,25H,3,10-11H2,(H,21,24)/b8-6+
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
Antibodypedia

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
ZINC 0

Similars

AffyNet 
US Patent
n/an/a 385.0n/an/an/an/an/an/a



Mei Pharma, Inc.

US Patent


Assay Description
The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.


US Patent US8551988 (2013)

More data for this
Ligand-Target Pair