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BDBM50015948 CHEMBL3260629

SMILES: CN(C)Cc1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1F

InChI Key: InChIKey=IUSLOEXUZXRHRH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50015948   
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))
BDBM50015948
PNG
(CHEMBL3260629)
Show SMILES CN(C)Cc1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1F
Show InChI InChI=1S/C25H25FN8/c1-16-6-4-9-20(30-16)25-24(18-10-11-22-28-15-29-34(22)14-18)31-21(32-25)12-27-19-8-5-7-17(23(19)26)13-33(2)3/h4-11,14-15,27H,12-13H2,1-3H3,(H,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.11E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radioisotopic assay


J Med Chem 57: 4213-38 (2014)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50015948
PNG
(CHEMBL3260629)
Show SMILES CN(C)Cc1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1F
Show InChI InChI=1S/C25H25FN8/c1-16-6-4-9-20(30-16)25-24(18-10-11-22-28-15-29-34(22)14-18)31-21(32-25)12-27-19-8-5-7-17(23(19)26)13-33(2)3/h4-11,14-15,27H,12-13H2,1-3H3,(H,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay


J Med Chem 57: 4213-38 (2014)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
More data for this
Ligand-Target Pair