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SMILES: CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(Cl)cccc2C1=O

InChI Key:

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 4 hits for monomerid = 50559473   
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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50559473
PNG
(CHEMBL4788992)
Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(Cl)cccc2C1=O |r,wU:7.6,wD:10.10,(22.76,-32.3,;23.12,-33.79,;21.92,-34.77,;20.58,-34.01,;19.26,-34.78,;19.26,-36.32,;17.93,-37.08,;17.93,-38.62,;19.26,-39.39,;19.25,-40.93,;17.92,-41.69,;17.91,-43.23,;16.59,-40.91,;16.6,-39.39,;20.59,-37.09,;21.92,-36.31,;23.15,-37.27,;24.66,-36.91,;25.54,-38.17,;24.89,-39.56,;27.08,-38.04,;27.73,-36.63,;26.84,-35.37,;25.31,-35.51,;24.63,-34.12,;25.58,-32.91,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.17E+3n/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced TNFalpha secretion preincubated for 1 hr followed by LPS-stimulation and measur...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50559473
PNG
(CHEMBL4788992)
Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(Cl)cccc2C1=O |r,wU:7.6,wD:10.10,(22.76,-32.3,;23.12,-33.79,;21.92,-34.77,;20.58,-34.01,;19.26,-34.78,;19.26,-36.32,;17.93,-37.08,;17.93,-38.62,;19.26,-39.39,;19.25,-40.93,;17.92,-41.69,;17.91,-43.23,;16.59,-40.91,;16.6,-39.39,;20.59,-37.09,;21.92,-36.31,;23.15,-37.27,;24.66,-36.91,;25.54,-38.17,;24.89,-39.56,;27.08,-38.04,;27.73,-36.63,;26.84,-35.37,;25.31,-35.51,;24.63,-34.12,;25.58,-32.91,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4-BD1 (unknown origin) by TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50559473
PNG
(CHEMBL4788992)
Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(Cl)cccc2C1=O |r,wU:7.6,wD:10.10,(22.76,-32.3,;23.12,-33.79,;21.92,-34.77,;20.58,-34.01,;19.26,-34.78,;19.26,-36.32,;17.93,-37.08,;17.93,-38.62,;19.26,-39.39,;19.25,-40.93,;17.92,-41.69,;17.91,-43.23,;16.59,-40.91,;16.6,-39.39,;20.59,-37.09,;21.92,-36.31,;23.15,-37.27,;24.66,-36.91,;25.54,-38.17,;24.89,-39.56,;27.08,-38.04,;27.73,-36.63,;26.84,-35.37,;25.31,-35.51,;24.63,-34.12,;25.58,-32.91,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG stably expressed in CHO cells at holding potential of -80 mV incubated for 12 mins


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))
BDBM50559473
PNG
(CHEMBL4788992)
Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(Cl)cccc2C1=O |r,wU:7.6,wD:10.10,(22.76,-32.3,;23.12,-33.79,;21.92,-34.77,;20.58,-34.01,;19.26,-34.78,;19.26,-36.32,;17.93,-37.08,;17.93,-38.62,;19.26,-39.39,;19.25,-40.93,;17.92,-41.69,;17.91,-43.23,;16.59,-40.91,;16.6,-39.39,;20.59,-37.09,;21.92,-36.31,;23.15,-37.27,;24.66,-36.91,;25.54,-38.17,;24.89,-39.56,;27.08,-38.04,;27.73,-36.63,;26.84,-35.37,;25.31,-35.51,;24.63,-34.12,;25.58,-32.91,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T
More data for this
Ligand-Target Pair