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US8551988, 13

SMILES: [H][C@@]12C[C@H](N(C1)C(=O)[C@@]([H])(NC(=O)OCC(C)(C)CCCCc1cccc3CN(Cc13)C(=O)O2)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1CC)C(=O)NS(=O)(=O)C1CC1

InChI Key: InChIKey=KUQWGLQLLVFLSM-ONAXAZCASA-N

Data: 2 IC50

PDB links: 4 PDB IDs match this monomer.

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°
kJ/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 CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCc1cccc3CN(Cc13)C(=O)O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
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 CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCc1cccc3CN(Cc13)C(=O)O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
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