BindingDB logo
myBDB logout

null

SMILES: COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(NS(C)(=O)=O)c1

InChI Key: InChIKey=ZPKLGSLFCKFOCY-UHFFFAOYSA-N

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 8 hits for monomerid = 50056506   
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))
BDBM50056506
PNG
(CHEMBL3341943 | US10688093, Compound 382_0087_6488...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H23N3O5S/c1-27-18-10-14(11-19(28-2)20(18)29-3)17-9-15(12-23-21(17)22)13-6-5-7-16(8-13)24-30(4,25)26/h5-12,24H,1-4H3,(H2,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50056506
PNG
(CHEMBL3341943 | US10688093, Compound 382_0087_6488...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H23N3O5S/c1-27-18-10-14(11-19(28-2)20(18)29-3)17-9-15(12-23-21(17)22)13-6-5-7-16(8-13)24-30(4,25)26/h5-12,24H,1-4H3,(H2,22,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50056506
PNG
(CHEMBL3341943 | US10688093, Compound 382_0087_6488...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H23N3O5S/c1-27-18-10-14(11-19(28-2)20(18)29-3)17-9-15(12-23-21(17)22)13-6-5-7-16(8-13)24-30(4,25)26/h5-12,24H,1-4H3,(H2,22,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/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
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50056506
PNG
(CHEMBL3341943 | US10688093, Compound 382_0087_6488...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H23N3O5S/c1-27-18-10-14(11-19(28-2)20(18)29-3)17-9-15(12-23-21(17)22)13-6-5-7-16(8-13)24-30(4,25)26/h5-12,24H,1-4H3,(H2,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 562n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2X352KC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50056506
PNG
(CHEMBL3341943 | US10688093, Compound 382_0087_6488...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H23N3O5S/c1-27-18-10-14(11-19(28-2)20(18)29-3)17-9-15(12-23-21(17)22)13-6-5-7-16(8-13)24-30(4,25)26/h5-12,24H,1-4H3,(H2,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 525n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The assay procedure determines the IC50 of each potential FYN kinase inhibitor by measuring the enzyme catalyzed ATP-dependent phosphorylation of the...


US Patent US10688093 (2020)


BindingDB Entry DOI: 10.7270/Q2Q81H48
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50056506
PNG
(CHEMBL3341943 | US10688093, Compound 382_0087_6488...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H23N3O5S/c1-27-18-10-14(11-19(28-2)20(18)29-3)17-9-15(12-23-21(17)22)13-6-5-7-16(8-13)24-30(4,25)26/h5-12,24H,1-4H3,(H2,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 562n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The assay procedure determines the IC50 of each potential FYN kinase inhibitor by measuring the enzyme catalyzed ATP-dependent phosphorylation of the...


US Patent US10688093 (2020)


BindingDB Entry DOI: 10.7270/Q2Q81H48
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50056506
PNG
(CHEMBL3341943 | US10688093, Compound 382_0087_6488...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H23N3O5S/c1-27-18-10-14(11-19(28-2)20(18)29-3)17-9-15(12-23-21(17)22)13-6-5-7-16(8-13)24-30(4,25)26/h5-12,24H,1-4H3,(H2,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 525n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2X352KC
More data for this
Ligand-Target Pair
Activin receptor type-1


(Mus musculus)
BDBM50056506
PNG
(CHEMBL3341943 | US10688093, Compound 382_0087_6488...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H23N3O5S/c1-27-18-10-14(11-19(28-2)20(18)29-3)17-9-15(12-23-21(17)22)13-6-5-7-16(8-13)24-30(4,25)26/h5-12,24H,1-4H3,(H2,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/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