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SMILES: CCc1ccc(Cl)cc1-n1cc(cc1C#N)-c1cc(N)ncn1

InChI Key: InChIKey=HBJIIDHYVKJEPX-UHFFFAOYSA-N

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 = 173934   
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 JAK2


(Homo sapiens (Human))
BDBM173934
PNG
(US9688661, 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2...)
Show SMILES CCc1ccc(Cl)cc1-n1cc(cc1C#N)-c1cc(N)ncn1
Show InChI InChI=1S/C17H14ClN5/c1-2-11-3-4-13(18)6-16(11)23-9-12(5-14(23)8-19)15-7-17(20)22-10-21-15/h3-7,9-10H,2H2,1H3,(H2,20,21,22)
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 66n/an/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...


US Patent US9688661 (2017)


BindingDB Entry DOI: 10.7270/Q2K35RTP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [861-1152]


(Homo sapiens (Human))
BDBM173934
PNG
(US9688661, 4-(6-aminopyrimidin-4-yl)-1-(5-chloro-2...)
Show SMILES CCc1ccc(Cl)cc1-n1cc(cc1C#N)-c1cc(N)ncn1
Show InChI InChI=1S/C17H14ClN5/c1-2-11-3-4-13(18)6-16(11)23-9-12(5-14(23)8-19)15-7-17(20)22-10-21-15/h3-7,9-10H,2H2,1H3,(H2,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 869n/an/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...


US Patent US9688661 (2017)


BindingDB Entry DOI: 10.7270/Q2K35RTP
More data for this
Ligand-Target Pair