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BDBM50056511 CHEMBL3341948

SMILES: COc1cccc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1

InChI Key: InChIKey=KJNIOOMNMIFBHV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50056511   
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
Activin receptor type-1


(Homo sapiens (Human))
BDBM50056511
PNG
(CHEMBL3341948)
Show SMILES COc1cccc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C22H24N4O/c1-27-20-4-2-3-17(13-20)21-14-18(15-25-22(21)23)16-5-7-19(8-6-16)26-11-9-24-10-12-26/h2-8,13-15,24H,9-12H2,1H3,(H2,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 86n/an/an/an/an/an/a



Massachusetts Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant human ALK2 kinase after 45 mins by liquid scintillation counting in presence of ATP [gamma-32P]


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)
BDBM50056511
PNG
(CHEMBL3341948)
Show SMILES COc1cccc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C22H24N4O/c1-27-20-4-2-3-17(13-20)21-14-18(15-25-22(21)23)16-5-7-19(8-6-16)26-11-9-24-10-12-26/h2-8,13-15,24H,9-12H2,1H3,(H2,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/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))
BDBM50056511
PNG
(CHEMBL3341948)
Show SMILES COc1cccc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C22H24N4O/c1-27-20-4-2-3-17(13-20)21-14-18(15-25-22(21)23)16-5-7-19(8-6-16)26-11-9-24-10-12-26/h2-8,13-15,24H,9-12H2,1H3,(H2,23,25)
PDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+3n/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
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50056511
PNG
(CHEMBL3341948)
Show SMILES COc1cccc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C22H24N4O/c1-27-20-4-2-3-17(13-20)21-14-18(15-25-22(21)23)16-5-7-19(8-6-16)26-11-9-24-10-12-26/h2-8,13-15,24H,9-12H2,1H3,(H2,23,25)
PDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.23E+4n/an/an/an/an/an/a



Massachusetts Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of purified human ALK5 kinase after 45 mins by liquid scintillation counting in presence of ATP [gamma-32P]


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