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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'TGF-beta receptor type-1' and Ligand = 'BDBM283083'   
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))
BDBM283083
PNG
(6-(2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2- ...)
Show SMILES NC(=O)c1cnc2ccc(cn12)-c1c(nc2CCCn12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H16FN5O/c21-14-6-3-12(4-7-14)18-19(25-9-1-2-17(25)24-18)13-5-8-16-23-10-15(20(22)27)26(16)11-13/h3-8,10-11H,1-2,9H2,(H2,22,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RJ4NP9
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM283083
PNG
(6-(2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2- ...)
Show SMILES NC(=O)c1cnc2ccc(cn12)-c1c(nc2CCCn12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H16FN5O/c21-14-6-3-12(4-7-14)18-19(25-9-1-2-17(25)24-18)13-5-8-16-23-10-15(20(22)27)26(16)11-13/h3-8,10-11H,1-2,9H2,(H2,22,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)


BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair