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BDBM50056683 CHEMBL3341795

SMILES: COc1cc(OC)cc(c1)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1

InChI Key: InChIKey=NKMOOGGPYILCOG-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 = 50056683   
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 I


(Homo sapiens (Human))
BDBM50056683
PNG
(CHEMBL3341795)
Show SMILES COc1cc(OC)cc(c1)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H25N3O2/c1-27-22-12-18(13-23(14-22)28-2)20-11-19(15-25-16-20)17-3-5-21(6-4-17)26-9-7-24-8-10-26/h3-6,11-16,24H,7-10H2,1-2H3
PDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Massachusetts Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta1-induced TGFbeta type 1 ALK5 in HEK293T cells after 30 mins by luciferase reporter gene assay


J Med Chem 57: 7900-15 (2014)


Article DOI: 10.1021/jm501177w
BindingDB Entry DOI: 10.7270/Q2PK0HS6
More data for this
Ligand-Target Pair
ALK2


(Mus musculus)
BDBM50056683
PNG
(CHEMBL3341795)
Show SMILES COc1cc(OC)cc(c1)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H25N3O2/c1-27-22-12-18(13-23(14-22)28-2)20-11-19(15-25-16-20)17-3-5-21(6-4-17)26-9-7-24-8-10-26/h3-6,11-16,24H,7-10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Massachusetts Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of BMP6-induced BMP receptor type 1 ALK2 in mouse C2C12 cells after 30 mins by luciferase reporter gene assay


J Med Chem 57: 7900-15 (2014)


Article DOI: 10.1021/jm501177w
BindingDB Entry DOI: 10.7270/Q2PK0HS6
More data for this
Ligand-Target Pair