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BDBM50233666 CHEMBL4097625

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1

InChI Key:

Data: 5 IC50

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 5 hits for monomerid = 50233666   
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
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50233666
PNG
(CHEMBL4097625)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 106n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50233666
PNG
(CHEMBL4097625)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 209n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50233666
PNG
(CHEMBL4097625)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 208n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50233666
PNG
(CHEMBL4097625)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7.30n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), gamma


(Homo sapiens (Human))
BDBM50233666
PNG
(CHEMBL4097625)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 116n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair