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BDBM141467 US8921368, 168

SMILES: C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1cncnc1)C(N)=O

InChI Key: InChIKey=SWNPBOPZUAINOD-DHFPXDALSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 141467   
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))
BDBM141467
PNG
(US8921368, 168)
Show SMILES C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1cncnc1)C(N)=O |r,wU:5.8,1.1,wD:1.0,(-3.17,3.47,;-1.84,2.69,;-1.84,4.23,;-1.84,1.15,;-.51,.38,;.83,1.15,;.83,2.69,;-.51,3.47,;2.16,.38,;2.16,-1.15,;3.49,-1.93,;3.49,-3.47,;2.16,-4.23,;.83,-3.47,;-.64,-3.94,;-1.54,-2.69,;-.64,-1.45,;.83,-1.93,;-3.08,-2.69,;-3.85,-1.36,;-5.39,-1.36,;-6.16,-2.69,;-5.39,-4.03,;-3.85,-4.03,;4.83,-1.15,;6.16,-1.93,;4.83,.38,)|
Show InChI InChI=1S/C19H22N6O2/c1-19(27)4-2-14(3-5-19)24-17-15(18(20)26)9-23-25-10-12(6-16(17)25)13-7-21-11-22-8-13/h6-11,14,24,27H,2-5H2,1H3,(H2,20,26)/t14-,19+
PDB

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PC sid
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Similars

US Patent
n/an/a 105n/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))
BDBM141467
PNG
(US8921368, 168)
Show SMILES C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1cncnc1)C(N)=O |r,wU:5.8,1.1,wD:1.0,(-3.17,3.47,;-1.84,2.69,;-1.84,4.23,;-1.84,1.15,;-.51,.38,;.83,1.15,;.83,2.69,;-.51,3.47,;2.16,.38,;2.16,-1.15,;3.49,-1.93,;3.49,-3.47,;2.16,-4.23,;.83,-3.47,;-.64,-3.94,;-1.54,-2.69,;-.64,-1.45,;.83,-1.93,;-3.08,-2.69,;-3.85,-1.36,;-5.39,-1.36,;-6.16,-2.69,;-5.39,-4.03,;-3.85,-4.03,;4.83,-1.15,;6.16,-1.93,;4.83,.38,)|
Show InChI InChI=1S/C19H22N6O2/c1-19(27)4-2-14(3-5-19)24-17-15(18(20)26)9-23-25-10-12(6-16(17)25)13-7-21-11-22-8-13/h6-11,14,24,27H,2-5H2,1H3,(H2,20,26)/t14-,19+
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

US Patent
n/an/a 17.1n/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