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SMILES: Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cnn(CCO)c23)c(C)cn1

InChI Key: InChIKey=RDLMOSHWBGSYSK-UHFFFAOYSA-N

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 2 hits for monomerid = 50238058   
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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50238058
PNG
(CHEMBL4087735)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cnn(CCO)c23)c(C)cn1
Show InChI InChI=1S/C21H20FN5O/c1-13-3-4-16(22)15(9-13)19-10-18(14(2)11-24-19)26-17-5-6-23-20-12-25-27(7-8-28)21(17)20/h3-6,9-12,28H,7-8H2,1-2H3,(H,23,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of ALK5 (unknown origin) expressed in SBE-bla HEK293T cells assessed as decrease in TGFbeta1-induced Smad2/3 phosphorylation by beta lacta...


Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50238058
PNG
(CHEMBL4087735)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cnn(CCO)c23)c(C)cn1
Show InChI InChI=1S/C21H20FN5O/c1-13-3-4-16(22)15(9-13)19-10-18(14(2)11-24-19)26-17-5-6-23-20-12-25-27(7-8-28)21(17)20/h3-6,9-12,28H,7-8H2,1-2H3,(H,23,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST tagged human ALK5 (200 to 503 residues) expressed in baculovirus expression system using FAM-NH2-KVLTQMGSPSI...


Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair