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BDBM50466191 CHEMBL4278242

SMILES: CNS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2[C@@H](C)CNC[C@H]2C)c2ccccc12

InChI Key: InChIKey=UMIZLAZHGLQRAL-BGYRXZFFSA-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 = 50466191   
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-like kinase 3 (ALK-3)


(Homo sapiens (Human))
BDBM50466191
PNG
(CHEMBL4278242)
Show SMILES CNS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2[C@@H](C)CNC[C@H]2C)c2ccccc12 |r|
Show InChI InChI=1S/C29H30N6O2S/c1-19-14-31-15-20(2)35(19)23-10-8-21(9-11-23)22-16-32-29-27(17-33-34(29)18-22)25-12-13-28(38(36,37)30-3)26-7-5-4-6-24(25)26/h4-13,16-20,30-31H,14-15H2,1-3H3/t19-,20+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


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


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50466191
PNG
(CHEMBL4278242)
Show SMILES CNS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2[C@@H](C)CNC[C@H]2C)c2ccccc12 |r|
Show InChI InChI=1S/C29H30N6O2S/c1-19-14-31-15-20(2)35(19)23-10-8-21(9-11-23)22-16-32-29-27(17-33-34(29)18-22)25-12-13-28(38(36,37)30-3)26-7-5-4-6-24(25)26/h4-13,16-20,30-31H,14-15H2,1-3H3/t19-,20+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 326n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


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


Article DOI: 10.1016/j.bmcl.2018.09.006
BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair