new BindingDB logo
myBDB logout

BDBM232725 US9346815, 271::US9604984, Example 271

SMILES: Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CC[C@@H](O)C2)nc1-c1cc(Cl)ccc1OC(F)F

InChI Key: InChIKey=MBBKLMHHKNIWTK-UGPWUYPHNA-N

Data: 4 KI

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 4 hits for monomerid = 232725   
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM232725
PNG
(US9346815, 271 | US9604984, Example 271)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CC[C@@H](O)C2)nc1-c1cc(Cl)ccc1OC(F)F |r|
Show InChI InChI=1/C23H21ClF2N8O4/c24-12-2-3-16(38-23(25)26)14(8-12)19-15(10-33(30-19)11-17(36)32-7-4-13(35)9-32)29-22(37)18-20(27)31-34-6-1-5-28-21(18)34/h1-3,5-6,8,10,13,23,35H,4,7,9,11H2,(H2,27,31)(H,29,37)/t13-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.130 -13.3n/an/an/an/an/a7.222



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM232725
PNG
(US9346815, 271 | US9604984, Example 271)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CC[C@@H](O)C2)nc1-c1cc(Cl)ccc1OC(F)F |r|
Show InChI InChI=1/C23H21ClF2N8O4/c24-12-2-3-16(38-23(25)26)14(8-12)19-15(10-33(30-19)11-17(36)32-7-4-13(35)9-32)29-22(37)18-20(27)31-34-6-1-5-28-21(18)34/h1-3,5-6,8,10,13,23,35H,4,7,9,11H2,(H2,27,31)(H,29,37)/t13-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.130n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9604984 (2017)


BindingDB Entry DOI: 10.7270/Q26D5W25
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232725
PNG
(US9346815, 271 | US9604984, Example 271)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CC[C@@H](O)C2)nc1-c1cc(Cl)ccc1OC(F)F |r|
Show InChI InChI=1/C23H21ClF2N8O4/c24-12-2-3-16(38-23(25)26)14(8-12)19-15(10-33(30-19)11-17(36)32-7-4-13(35)9-32)29-22(37)18-20(27)31-34-6-1-5-28-21(18)34/h1-3,5-6,8,10,13,23,35H,4,7,9,11H2,(H2,27,31)(H,29,37)/t13-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.210n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9604984 (2017)


BindingDB Entry DOI: 10.7270/Q26D5W25
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232725
PNG
(US9346815, 271 | US9604984, Example 271)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CC[C@@H](O)C2)nc1-c1cc(Cl)ccc1OC(F)F |r|
Show InChI InChI=1/C23H21ClF2N8O4/c24-12-2-3-16(38-23(25)26)14(8-12)19-15(10-33(30-19)11-17(36)32-7-4-13(35)9-32)29-22(37)18-20(27)31-34-6-1-5-28-21(18)34/h1-3,5-6,8,10,13,23,35H,4,7,9,11H2,(H2,27,31)(H,29,37)/t13-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.210 -13.1n/an/an/an/an/a7.222



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair