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Compile Data Set for Download or QSAR

Found 3 hits of ec50 data for polymerid = 5615   
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)
BDBM50466183
PNG
(CHEMBL4283638)
Show SMILES CC(N1CCCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C28H27N5O2S/c1-19(32-14-4-5-15-32)20-8-10-21(11-9-20)22-16-30-28-26(17-31-33(28)18-22)24-12-13-27(36(29,34)35)25-7-3-2-6-23(24)25/h2-3,6-13,16-19H,4-5,14-15H2,1H3,(H2,29,34,35)
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PC cid
PC sid
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PubMed
n/an/an/an/a 8n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of BMP6-induced ALK2 transcriptional activity in mouse C2C12 cells expressing BRE-Luc after 30 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 28: 3356-3362 (2018)

More data for this
Ligand-Target Pair
ALK2


(Mus musculus)
BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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PC cid
PC sid
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Similars

PDB
PubMed
n/an/an/an/a 14n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of BMP6-induced ALK2 transcriptional activity in mouse C2C12 cells expressing BRE-Luc after 30 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 28: 3356-3362 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK2


(Mus musculus)
BDBM50466190
PNG
(CHEMBL4288921)
Show SMILES C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
Show InChI InChI=1S/C28H28N6O2S/c1-18-13-30-14-19(2)34(18)22-9-7-20(8-10-22)21-15-31-28-26(16-32-33(28)17-21)24-11-12-27(37(29,35)36)25-6-4-3-5-23(24)25/h3-12,15-19,30H,13-14H2,1-2H3,(H2,29,35,36)/t18-,19+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 91n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of BMP6-induced ALK2 transcriptional activity in mouse C2C12 cells expressing BRE-Luc after 30 mins by luciferase reporter gene assay


Bioorg Med Chem Lett 28: 3356-3362 (2018)

More data for this
Ligand-Target Pair