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BDBM50056687 CHEMBL3341954

SMILES: CNc1ncc(cc1-c1cc(OC)c(OC)c(OC)c1)-c1ccc(cc1)N1CCNCC1

InChI Key: InChIKey=PHVIDGNOESEQKP-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 = 50056687   
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
ALK2


(Mus musculus)
BDBM50056687
PNG
(CHEMBL3341954)
Show SMILES CNc1ncc(cc1-c1cc(OC)c(OC)c(OC)c1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H30N4O3/c1-26-25-21(18-14-22(30-2)24(32-4)23(15-18)31-3)13-19(16-28-25)17-5-7-20(8-6-17)29-11-9-27-10-12-29/h5-8,13-16,27H,9-12H2,1-4H3,(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 280n/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
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50056687
PNG
(CHEMBL3341954)
Show SMILES CNc1ncc(cc1-c1cc(OC)c(OC)c(OC)c1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H30N4O3/c1-26-25-21(18-14-22(30-2)24(32-4)23(15-18)31-3)13-19(16-28-25)17-5-7-20(8-6-17)29-11-9-27-10-12-29/h5-8,13-16,27H,9-12H2,1-4H3,(H,26,28)
PDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+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