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BDBM50544980 CHEMBL4643586

SMILES: Cc1cn(cn1)-c1cc(CN2CCC[C@H](N)C2)cc(NC(=O)c2ccc(C)c(Oc3ccccc3)c2)c1

InChI Key: InChIKey=SUNSLACFIOGRFF-VWLOTQADSA-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 = 50544980   
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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50544980
PNG
(CHEMBL4643586)
Show SMILES Cc1cn(cn1)-c1cc(CN2CCC[C@H](N)C2)cc(NC(=O)c2ccc(C)c(Oc3ccccc3)c2)c1 |r|
Show InChI InChI=1S/C30H33N5O2/c1-21-10-11-24(15-29(21)37-28-8-4-3-5-9-28)30(36)33-26-13-23(18-34-12-6-7-25(31)19-34)14-27(16-26)35-17-22(2)32-20-35/h3-5,8-11,13-17,20,25H,6-7,12,18-19,31H2,1-2H3,(H,33,36)/t25-/m0/s1
PDB

UniProtKB/SwissProt

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 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
Protein cereblon/Tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50544980
PNG
(CHEMBL4643586)
Show SMILES Cc1cn(cn1)-c1cc(CN2CCC[C@H](N)C2)cc(NC(=O)c2ccc(C)c(Oc3ccccc3)c2)c1 |r|
Show InChI InChI=1S/C30H33N5O2/c1-21-10-11-24(15-29(21)37-28-8-4-3-5-9-28)30(36)33-26-13-23(18-34-12-6-7-25(31)19-34)14-27(16-26)35-17-22(2)32-20-35/h3-5,8-11,13-17,20,25H,6-7,12,18-19,31H2,1-2H3,(H,33,36)/t25-/m0/s1
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
VHL/PDGFRB


(Homo sapiens (Human))
BDBM50544980
PNG
(CHEMBL4643586)
Show SMILES Cc1cn(cn1)-c1cc(CN2CCC[C@H](N)C2)cc(NC(=O)c2ccc(C)c(Oc3ccccc3)c2)c1 |r|
Show InChI InChI=1S/C30H33N5O2/c1-21-10-11-24(15-29(21)37-28-8-4-3-5-9-28)30(36)33-26-13-23(18-34-12-6-7-25(31)19-34)14-27(16-26)35-17-22(2)32-20-35/h3-5,8-11,13-17,20,25H,6-7,12,18-19,31H2,1-2H3,(H,33,36)/t25-/m0/s1
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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50544980
PNG
(CHEMBL4643586)
Show SMILES Cc1cn(cn1)-c1cc(CN2CCC[C@H](N)C2)cc(NC(=O)c2ccc(C)c(Oc3ccccc3)c2)c1 |r|
Show InChI InChI=1S/C30H33N5O2/c1-21-10-11-24(15-29(21)37-28-8-4-3-5-9-28)30(36)33-26-13-23(18-34-12-6-7-25(31)19-34)14-27(16-26)35-17-22(2)32-20-35/h3-5,8-11,13-17,20,25H,6-7,12,18-19,31H2,1-2H3,(H,33,36)/t25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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 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