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BDBM50544967 CHEMBL4633069

SMILES: CCCCc1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)-n1cnc(C)c1

InChI Key: InChIKey=WLUSXUZDBARSRE-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50544967   
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
Protein cereblon/Tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50544967
PNG
(CHEMBL4633069)
Show SMILES CCCCc1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)-n1cnc(C)c1
Show InChI InChI=1S/C32H32N6O/c1-4-5-9-24-16-27(19-28(17-24)38-20-23(3)34-21-38)35-31(39)26-13-12-22(2)30(18-26)37-32-33-15-14-29(36-32)25-10-7-6-8-11-25/h6-8,10-21H,4-5,9H2,1-3H3,(H,35,39)(H,33,36,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged SRC (1 to 536 residues) expressed in baculovirus expression system using FAM-labell...


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50544967
PNG
(CHEMBL4633069)
Show SMILES CCCCc1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)-n1cnc(C)c1
Show InChI InChI=1S/C32H32N6O/c1-4-5-9-24-16-27(19-28(17-24)38-20-23(3)34-21-38)35-31(39)26-13-12-22(2)30(18-26)37-32-33-15-14-29(36-32)25-10-7-6-8-11-25/h6-8,10-21H,4-5,9H2,1-3H3,(H,35,39)(H,33,36,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 302n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-label...


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50544967
PNG
(CHEMBL4633069)
Show SMILES CCCCc1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)-n1cnc(C)c1
Show InChI InChI=1S/C32H32N6O/c1-4-5-9-24-16-27(19-28(17-24)38-20-23(3)34-21-38)35-31(39)26-13-12-22(2)30(18-26)37-32-33-15-14-29(36-32)25-10-7-6-8-11-25/h6-8,10-21H,4-5,9H2,1-3H3,(H,35,39)(H,33,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 142n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged Abl (2 to 1130 residues) expressed in baculovirus expression system using FAM-labelled P2 pepti...


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
VHL/PDGFRB


(Homo sapiens (Human))
BDBM50544967
PNG
(CHEMBL4633069)
Show SMILES CCCCc1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)-n1cnc(C)c1
Show InChI InChI=1S/C32H32N6O/c1-4-5-9-24-16-27(19-28(17-24)38-20-23(3)34-21-38)35-31(39)26-13-12-22(2)30(18-26)37-32-33-15-14-29(36-32)25-10-7-6-8-11-25/h6-8,10-21H,4-5,9H2,1-3H3,(H,35,39)(H,33,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDGFRbeta cytoplasmic domain (557 to 1106 residues) expressed in baculovirus expression system ...


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair