BindingDB logo
myBDB logout

BDBM50263477 CHEMBL4073813

SMILES: CN1C(=O)C2N(CCc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O

InChI Key: InChIKey=CYETZOGOURJTFW-UHFFFAOYSA-N

Data: 3 KI

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 = 50263477   
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
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50263477
PNG
(CHEMBL4073813)
Show SMILES CN1C(=O)C2N(CCc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O
Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)19-18-15-4-2-3-5-16(15)26(17(18)10-11-25(19)22(24)29)12-13-6-8-14(9-7-13)20(27)23-30/h2-9,19,30H,10-12H2,1H3,(H,23,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as subst...


J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
BindingDB Entry DOI: 10.7270/Q24B33S0
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50263477
PNG
(CHEMBL4073813)
Show SMILES CN1C(=O)C2N(CCc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O
Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)19-18-15-4-2-3-5-16(15)26(17(18)10-11-25(19)22(24)29)12-13-6-8-14(9-7-13)20(27)23-30/h2-9,19,30H,10-12H2,1H3,(H,23,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
761n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in baculovirus-infected insect cells using RHK(Ac)K(Ac)AMC ...


J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
BindingDB Entry DOI: 10.7270/Q24B33S0
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50263477
PNG
(CHEMBL4073813)
Show SMILES CN1C(=O)C2N(CCc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O
Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)19-18-15-4-2-3-5-16(15)26(17(18)10-11-25(19)22(24)29)12-13-6-8-14(9-7-13)20(27)23-30/h2-9,19,30H,10-12H2,1H3,(H,23,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
995n/an/an/an/an/an/an/an/a



Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human C-terminal GST-tagged HDAC2 expressed in baculovirus-infected insect cells using RHKK(Ac)AMC as substrate...


J Med Chem 61: 3454-3477 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01593
BindingDB Entry DOI: 10.7270/Q24B33S0
More data for this
Ligand-Target Pair