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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'TGF-beta receptor type-1' and Ligand = 'BDBM50015660'   
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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50015660
PNG
(CHEMBL3260574 | USRE47141, Example 51)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2OC(F)(F)F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H18F3N7O/c1-14-5-4-7-17(30-14)22-21(15-9-10-20-28-13-29-33(20)12-15)31-19(32-22)11-27-16-6-2-3-8-18(16)34-23(24,25)26/h2-10,12-13,27H,11H2,1H3,(H,31,32)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay


J Med Chem 57: 4213-38 (2014)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50015660
PNG
(CHEMBL3260574 | USRE47141, Example 51)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2OC(F)(F)F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H18F3N7O/c1-14-5-4-7-17(30-14)22-21(15-9-10-20-28-13-29-33(20)12-15)31-19(32-22)11-27-16-6-2-3-8-18(16)34-23(24,25)26/h2-10,12-13,27H,11H2,1H3,(H,31,32)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 12.3n/an/an/an/an/an/a



EWHA UNIVERSITY—INDUSTRY COLLABORATION FOUNDATION

US Patent


Assay Description
ALK5 protein was expressed in Sf9 insect cells as human recombinant GST-fusion protein using the baculovirus expression system. Expressed protein was...


US Patent USRE47141 (2018)


BindingDB Entry DOI: 10.7270/Q26W9D4M
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50015660
PNG
(CHEMBL3260574 | USRE47141, Example 51)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2OC(F)(F)F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H18F3N7O/c1-14-5-4-7-17(30-14)22-21(15-9-10-20-28-13-29-33(20)12-15)31-19(32-22)11-27-16-6-2-3-8-18(16)34-23(24,25)26/h2-10,12-13,27H,11H2,1H3,(H,31,32)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.56E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radioisotopic assay


J Med Chem 57: 4213-38 (2014)


Article DOI: 10.1021/jm500115w
BindingDB Entry DOI: 10.7270/Q2DV1MFM
More data for this
Ligand-Target Pair