BindingDB logo
myBDB logout

null

SMILES: COc1ccc(cc1)C1(CCCC1)C(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12

InChI Key:

PDB links: 1 PDB ID matches this monomer.

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 8 hits for monomerid = 50600305   
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 acetyltransferase p300


(Homo sapiens (Human))
BDBM50600305
PNG
(CHEMBL5193672)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 150n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600305
PNG
(CHEMBL5193672)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 450n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50600305
PNG
(CHEMBL5193672)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase KAT2A


(Homo sapiens (Human))
BDBM50600305
PNG
(CHEMBL5193672)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT7


(Homo sapiens)
BDBM50600305
PNG
(CHEMBL5193672)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6B


(Homo sapiens)
BDBM50600305
PNG
(CHEMBL5193672)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50600305
PNG
(CHEMBL5193672)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT5


(Homo sapiens (Human))
BDBM50600305
PNG
(CHEMBL5193672)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair