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BDBM50527634 CHEMBL4456827

SMILES: CC[C@H](Nc1ncnc(N)c1Cl)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=CFBUBQDTEDCOTD-IBGZPJMESA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50527634   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50527634
PNG
(CHEMBL4456827)
Show SMILES CC[C@H](Nc1ncnc(N)c1Cl)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C28H26ClN9O3/c1-2-19(35-25-23(29)24(30)33-15-34-25)26-36-21-10-6-9-20(22(21)28(40)38(26)18-7-4-3-5-8-18)32-14-17-12-11-16(13-31-17)27(39)37-41/h3-13,15,19,32,41H,2,14H2,1H3,(H,37,39)(H3,30,33,34,35)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 189n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...


J Med Chem 63: 4256-4292 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00193
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50527634
PNG
(CHEMBL4456827)
Show SMILES CC[C@H](Nc1ncnc(N)c1Cl)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C28H26ClN9O3/c1-2-19(35-25-23(29)24(30)33-15-34-25)26-36-21-10-6-9-20(22(21)28(40)38(26)18-7-4-3-5-8-18)32-14-17-12-11-16(13-31-17)27(39)37-41/h3-13,15,19,32,41H,2,14H2,1H3,(H,37,39)(H3,30,33,34,35)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...


J Med Chem 63: 4256-4292 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00193
More data for this
Ligand-Target Pair