BindingDB logo
myBDB logout

null

SMILES: OC1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CC1

InChI Key: InChIKey=CLUGMNXHPULCBE-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 2 hits for monomerid = 406959   
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
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM406959
PNG
(1-({4-[(3-fluoropyridin-4-yl)amino]-2-(pyridin-2-y...)
Show SMILES OC1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CC1
Show InChI InChI=1S/C22H22FN7O/c23-17-13-24-9-4-18(17)26-22-20-15(14-29-10-6-16(31)7-11-29)5-12-30(20)28-21(27-22)19-3-1-2-8-25-19/h1-5,8-9,12-13,16,31H,6-7,10-11,14H2,(H,24,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406959
PNG
(1-({4-[(3-fluoropyridin-4-yl)amino]-2-(pyridin-2-y...)
Show SMILES OC1CCN(Cc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CC1
Show InChI InChI=1S/C22H22FN7O/c23-17-13-24-9-4-18(17)26-22-20-15(14-29-10-6-16(31)7-11-29)5-12-30(20)28-21(27-22)19-3-1-2-8-25-19/h1-5,8-9,12-13,16,31H,6-7,10-11,14H2,(H,24,26,27,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.580n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair