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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Activin receptor type-1' and Ligand = 'BDBM50544400'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544400
PNG
(CHEMBL4637817)
Show SMILES COc1cc(OC)cc(c1)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H27N3O2/c1-17-23(18-4-6-20(7-5-18)27-10-8-25-9-11-27)15-26-16-24(17)19-12-21(28-2)14-22(13-19)29-3/h4-7,12-16,25H,8-11H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50544400
PNG
(CHEMBL4637817)
Show SMILES COc1cc(OC)cc(c1)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H27N3O2/c1-17-23(18-4-6-20(7-5-18)27-10-8-25-9-11-27)15-26-16-24(17)19-12-21(28-2)14-22(13-19)29-3/h4-7,12-16,25H,8-11H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGl...


J Med Chem 63: 10061-10085 (2020)


Article DOI: 10.1021/acs.jmedchem.0c01199
BindingDB Entry DOI: 10.7270/Q2VM4GV3
More data for this
Ligand-Target Pair