new BindingDB logo
myBDB logout

BDBM50211223 CHEMBL3939150

SMILES: CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1

InChI Key:

Data: 8 IC50  1 EC50

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 9 hits for monomerid = 50211223   
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
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 81n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant His-tagged human BLK cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET ...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 75n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate meas...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human LCK cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET b...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human PDGFR-beta cytoplasmic domain (558 to 1106 residues) expressed in baculovirus expression system measured a...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
BCR/ABL p210 fusion protein


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a<100n/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 fusion protein autophosphorylation at Y245 in human K562 cells measured after 2 hrs by immunoblotting


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 227n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human CSF1R cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET based Z'Ly...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
PDB

KEGG

UniProtKB/SwissProt

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



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged DDR1 cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET based Z'Lyte assay


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 46n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 325n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human DDR2 cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET based Z'Lyt...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair