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BDBM50056512 CHEMBL3341949

SMILES: Nc1ncc(cc1-c1ccc2OCCOc2c1)-c1ccc(cc1)N1CCNCC1

InChI Key: InChIKey=VSJMBQDPKOGFLY-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 = 50056512   
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))
BDBM50056512
PNG
(CHEMBL3341949)
Show SMILES Nc1ncc(cc1-c1ccc2OCCOc2c1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H24N4O2/c24-23-20(17-3-6-21-22(14-17)29-12-11-28-21)13-18(15-26-23)16-1-4-19(5-2-16)27-9-7-25-8-10-27/h1-6,13-15,25H,7-12H2,(H2,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.87E+3n/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)
BDBM50056512
PNG
(CHEMBL3341949)
Show SMILES Nc1ncc(cc1-c1ccc2OCCOc2c1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H24N4O2/c24-23-20(17-3-6-21-22(14-17)29-12-11-28-21)13-18(15-26-23)16-1-4-19(5-2-16)27-9-7-25-8-10-27/h1-6,13-15,25H,7-12H2,(H2,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 730n/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))
BDBM50056512
PNG
(CHEMBL3341949)
Show SMILES Nc1ncc(cc1-c1ccc2OCCOc2c1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H24N4O2/c24-23-20(17-3-6-21-22(14-17)29-12-11-28-21)13-18(15-26-23)16-1-4-19(5-2-16)27-9-7-25-8-10-27/h1-6,13-15,25H,7-12H2,(H2,24,26)
PDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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


(Homo sapiens (Human))
BDBM50056512
PNG
(CHEMBL3341949)
Show SMILES Nc1ncc(cc1-c1ccc2OCCOc2c1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H24N4O2/c24-23-20(17-3-6-21-22(14-17)29-12-11-28-21)13-18(15-26-23)16-1-4-19(5-2-16)27-9-7-25-8-10-27/h1-6,13-15,25H,7-12H2,(H2,24,26)
PDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+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