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BDBM141486 US8921368, 298

SMILES: NC(=O)c1cnn2cc(cc2c1NC12CC3CC(O)(CC(O)(C3)C1)C2)-c1ccc(F)cc1

InChI Key: InChIKey=IBCHUKMRJKBCBJ-UHFFFAOYSA-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 = 141486   
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))
BDBM141486
PNG
(US8921368, 298)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC12CC3CC(O)(CC(O)(C3)C1)C2)-c1ccc(F)cc1 |TLB:24:13:22:17.19.16,18:17:14:22.20.23,THB:19:17:14:22.20.23,19:20:14:17.24.16,24:17:22:14.13.23,12:13:22:17.19.16|
Show InChI InChI=1S/C24H25FN4O3/c25-17-3-1-15(2-4-17)16-5-19-20(18(21(26)30)9-27-29(19)10-16)28-22-6-14-7-23(31,11-22)13-24(32,8-14)12-22/h1-5,9-10,14,28,31-32H,6-8,11-13H2,(H2,26,30)
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PC cid
PC sid
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Similars

US Patent
n/an/a 2.10n/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))
BDBM141486
PNG
(US8921368, 298)
Show SMILES NC(=O)c1cnn2cc(cc2c1NC12CC3CC(O)(CC(O)(C3)C1)C2)-c1ccc(F)cc1 |TLB:24:13:22:17.19.16,18:17:14:22.20.23,THB:19:17:14:22.20.23,19:20:14:17.24.16,24:17:22:14.13.23,12:13:22:17.19.16|
Show InChI InChI=1S/C24H25FN4O3/c25-17-3-1-15(2-4-17)16-5-19-20(18(21(26)30)9-27-29(19)10-16)28-22-6-14-7-23(31,11-22)13-24(32,8-14)12-22/h1-5,9-10,14,28,31-32H,6-8,11-13H2,(H2,26,30)
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 4.70n/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