new BindingDB logo
myBDB logout

BDBM232511 US9346815, 57::US9604984, Example 57

SMILES: Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F

InChI Key: InChIKey=KZRSAVXBPQERQP-HDICACEKNA-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 = 232511   
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))
BDBM232511
PNG
(US9346815, 57 | US9604984, Example 57)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F |r|
Show InChI InChI=1/C29H30ClF2N9O3/c30-19-4-5-22(44-29(31)32)20(8-19)25-21(35-28(43)24-26(33)37-41-7-1-6-34-27(24)41)14-40(36-25)15-23(42)39-12-17-10-38(9-16-2-3-16)11-18(17)13-39/h1,4-8,14,16-18,29H,2-3,9-13,15H2,(H2,33,37)(H,35,43)/t17-,18+
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))
BDBM232511
PNG
(US9346815, 57 | US9604984, Example 57)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F |r|
Show InChI InChI=1/C29H30ClF2N9O3/c30-19-4-5-22(44-29(31)32)20(8-19)25-21(35-28(43)24-26(33)37-41-7-1-6-34-27(24)41)14-40(36-25)15-23(42)39-12-17-10-38(9-16-2-3-16)11-18(17)13-39/h1,4-8,14,16-18,29H,2-3,9-13,15H2,(H2,33,37)(H,35,43)/t17-,18+
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))
BDBM232511
PNG
(US9346815, 57 | US9604984, Example 57)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F |r|
Show InChI InChI=1/C29H30ClF2N9O3/c30-19-4-5-22(44-29(31)32)20(8-19)25-21(35-28(43)24-26(33)37-41-7-1-6-34-27(24)41)14-40(36-25)15-23(42)39-12-17-10-38(9-16-2-3-16)11-18(17)13-39/h1,4-8,14,16-18,29H,2-3,9-13,15H2,(H2,33,37)(H,35,43)/t17-,18+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.590n/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))
BDBM232511
PNG
(US9346815, 57 | US9604984, Example 57)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F |r|
Show InChI InChI=1/C29H30ClF2N9O3/c30-19-4-5-22(44-29(31)32)20(8-19)25-21(35-28(43)24-26(33)37-41-7-1-6-34-27(24)41)14-40(36-25)15-23(42)39-12-17-10-38(9-16-2-3-16)11-18(17)13-39/h1,4-8,14,16-18,29H,2-3,9-13,15H2,(H2,33,37)(H,35,43)/t17-,18+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.590 -12.5n/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