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SMILES: CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2ccccn2)ccn1

InChI Key: InChIKey=TXRZDWUIAYQQJI-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 = 412756   
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))
BDBM412756
PNG
(N-(4-((2-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2ccccn2)ccn1
Show InChI InChI=1S/C18H15N7O/c1-11(26)22-15-10-12(5-8-20-15)23-17-13-6-9-21-16(13)24-18(25-17)14-4-2-3-7-19-14/h2-10H,1H3,(H3,20,21,22,23,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 50n/an/an/an/an/an/a



Bristol-Myer Squibb Company

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 US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412756
PNG
(N-(4-((2-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2ccccn2)ccn1
Show InChI InChI=1S/C18H15N7O/c1-11(26)22-15-10-12(5-8-20-15)23-17-13-6-9-21-16(13)24-18(25-17)14-4-2-3-7-19-14/h2-10H,1H3,(H3,20,21,22,23,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myer Squibb Company

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 US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair