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BDBM151037 US8987268, 51

SMILES: CCOC(=O)N1CCC[C@H](C1)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O

InChI Key: InChIKey=JJGOYTQCWBREEM-QGZVFWFLSA-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 = 151037   
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))
BDBM151037
PNG
(US8987268, 51)
Show SMILES CCOC(=O)N1CCC[C@H](C1)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C22H25N5O3/c1-2-30-22(29)26-10-6-9-17(14-26)25-20-18(21(23)28)12-24-27-13-16(11-19(20)27)15-7-4-3-5-8-15/h3-5,7-8,11-13,17,25H,2,6,9-10,14H2,1H3,(H2,23,28)/t17-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 903n/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 substrat...


US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM151037
PNG
(US8987268, 51)
Show SMILES CCOC(=O)N1CCC[C@H](C1)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C22H25N5O3/c1-2-30-22(29)26-10-6-9-17(14-26)25-20-18(21(23)28)12-24-27-13-16(11-19(20)27)15-7-4-3-5-8-15/h3-5,7-8,11-13,17,25H,2,6,9-10,14H2,1H3,(H2,23,28)/t17-/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 285n/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 substrat...


US Patent US8987268 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4PC2
More data for this
Ligand-Target Pair