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BDBM141457 US8921368, 94

SMILES: C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)-c1cccc(c1)C(N)=O)C(N)=O

InChI Key: InChIKey=KBENESZRTLSKOD-UTKZUKDTSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 141457   
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 JAK1


(Homo sapiens (Human))
BDBM141457
PNG
(US8921368, 94)
Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)-c1cccc(c1)C(N)=O)C(N)=O |r|
Show InChI InChI=1S/C21H22FN5O2/c1-21(22)7-3-6-17(21)26-18-15(20(24)29)10-25-27-11-14(9-16(18)27)12-4-2-5-13(8-12)19(23)28/h2,4-5,8-11,17,26H,3,6-7H2,1H3,(H2,23,28)(H2,24,29)/t17-,21+/m1/s1
PDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 1.40n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...


US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM141457
PNG
(US8921368, 94)
Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)-c1cccc(c1)C(N)=O)C(N)=O |r|
Show InChI InChI=1S/C21H22FN5O2/c1-21(22)7-3-6-17(21)26-18-15(20(24)29)10-25-27-11-14(9-16(18)27)12-4-2-5-13(8-12)19(23)28/h2,4-5,8-11,17,26H,3,6-7H2,1H3,(H2,23,28)(H2,24,29)/t17-,21+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.5n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...


US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair