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BDBM400296 US10695337, Example 50::US9999619, Example 51

SMILES: COc1c(Br)cc(cc1Br)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

InChI Key: InChIKey=DLIUAQISEFIHQE-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 400296   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK1 [837-1142]


(Homo sapiens (Human))
BDBM400296
PNG
(US10695337, Example 50 | US9999619, Example 51)
Show SMILES COc1c(Br)cc(cc1Br)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H26Br2N8O2/c1-39-24-21(28)10-17(11-22(24)29)26(38)35-8-3-19(4-9-35)36-14-27(15-36,5-6-30)37-13-18(12-34-37)23-20-2-7-31-25(20)33-16-32-23/h2,7,10-13,16,19H,3-5,8-9,14-15H2,1H3,(H,31,32,33)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...


US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132]


(Homo sapiens (Human))
BDBM400296
PNG
(US10695337, Example 50 | US9999619, Example 51)
Show SMILES COc1c(Br)cc(cc1Br)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H26Br2N8O2/c1-39-24-21(28)10-17(11-22(24)29)26(38)35-8-3-19(4-9-35)36-14-27(15-36,5-6-30)37-13-18(12-34-37)23-20-2-7-31-25(20)33-16-32-23/h2,7,10-13,16,19H,3-5,8-9,14-15H2,1H3,(H,31,32,33)
PDB
MMDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
The catalytic domains of human JAK1 (a.a. 837-1142), Jak2 (a.a. 828-1132) and Jak3 (a.a. 781-1124) with an N-terminal His tag were expressed using ba...


US Patent US10695337 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142]


(Homo sapiens (Human))
BDBM400296
PNG
(US10695337, Example 50 | US9999619, Example 51)
Show SMILES COc1c(Br)cc(cc1Br)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H26Br2N8O2/c1-39-24-21(28)10-17(11-22(24)29)26(38)35-8-3-19(4-9-35)36-14-27(15-36,5-6-30)37-13-18(12-34-37)23-20-2-7-31-25(20)33-16-32-23/h2,7,10-13,16,19H,3-5,8-9,14-15H2,1H3,(H,31,32,33)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
The catalytic domains of human JAK1 (a.a. 837-1142), Jak2 (a.a. 828-1132) and Jak3 (a.a. 781-1124) with an N-terminal His tag were expressed using ba...


US Patent US10695337 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [828-1132]


(Homo sapiens (Human))
BDBM400296
PNG
(US10695337, Example 50 | US9999619, Example 51)
Show SMILES COc1c(Br)cc(cc1Br)C(=O)N1CCC(CC1)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H26Br2N8O2/c1-39-24-21(28)10-17(11-22(24)29)26(38)35-8-3-19(4-9-35)36-14-27(15-36,5-6-30)37-13-18(12-34-37)23-20-2-7-31-25(20)33-16-32-23/h2,7,10-13,16,19H,3-5,8-9,14-15H2,1H3,(H,31,32,33)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...


US Patent US9999619 (2018)


BindingDB Entry DOI: 10.7270/Q2C82CNM
More data for this
Ligand-Target Pair