BindingDB logo
myBDB logout

BDBM147774 US8962608, 28-93

SMILES: CC1(C)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)[C@H](O)C(F)(F)F)n1

InChI Key: InChIKey=JLEJGZVOCPVIIQ-LQJIQPLVSA-N

Data: 2 IC50

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 = 147774   
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))
BDBM147774
PNG
(US8962608, 28-93)
Show SMILES CC1(C)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)[C@H](O)C(F)(F)F)n1
Show InChI InChI=1S/C24H29F3N6O2/c1-23(2)12-32(13-23)17-7-8-19(15(9-17)10-28)33-11-18(21(29)35)22(31-33)30-16-5-3-14(4-6-16)20(34)24(25,26)27/h3-6,11,15,17,19-20,34H,7-9,12-13H2,1-2H3,(H2,29,35)(H,30,31)/t15-,17+,19+,20+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147774
PNG
(US8962608, 28-93)
Show SMILES CC1(C)CN(C1)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(cc2)[C@H](O)C(F)(F)F)n1
Show InChI InChI=1S/C24H29F3N6O2/c1-23(2)12-32(13-23)17-7-8-19(15(9-17)10-28)33-11-18(21(29)35)22(31-33)30-16-5-3-14(4-6-16)20(34)24(25,26)27/h3-6,11,15,17,19-20,34H,7-9,12-13H2,1-2H3,(H2,29,35)(H,30,31)/t15-,17+,19+,20+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.0600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair