Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase JAK2
Ligand
BDBM398503
Substrate
n/a
Meas. Tech.
JAK1, JAK2 and JAK3 In Vitro Enzyme Assays
IC50
901±99 nM
Citation
 Bastian, JA; Clayton, JR; Coates, DA; Sall, DJ; Woods, TA Pyrazolylaminobenzimidazole derivatives as JAK inhibitors US Patent  US10323019 Publication Date 6/18/2019 
Target
Name:
Tyrosine-protein kinase JAK2
Synonyms:
JAK-2 | JAK2 | JAK2_HUMAN | Janus kinase 2 | Janus kinase 2 (JAK2) | Janus kinase 2 (a protein tyrosine kinase)
Type:
Protein
Mol. Mass.:
130684.68
Organism:
Homo sapiens (Human)
Description:
O60674
Residue:
1132
Sequence:
MGMACLTMTEMEGTSTSSIYQNGDISGNANSMKQIDPVLQVYLYHSLGKSEADYLTFPSGEYVAEEICIAASKACGITPVYHNMFALMSETERIWYPPNHVFHIDESTRHNVLYRIRFYFPRWYCSGSNRAYRHGISRGAEAPLLDDFVMSYLFAQWRHDFVHGWIKVPVTHETQEECLGMAVLDMMRIAKENDQTPLAIYNSISYKTFLPKCIRAKIQDYHILTRKRIRYRFRRFIQQFSQCKATARNLKLKYLINLETLQSAFYTEKFEVKEPGSGPSGEEIFATIIITGNGGIQWSRGKHKESETLTEQDLQLYCDFPNIIDVSIKQANQEGSNESRVVTIHKQDGKNLEIELSSLREALSFVSLIDGYYRLTADAHHYLCKEVAPPAVLENIQSNCHGPISMDFAISKLKKAGNQTGLYVLRCSPKDFNKYFLTFAVERENVIEYKHCLITKNENEEYNLSGTKKNFSSLKDLLNCYQMETVRSDNIIFQFTKCCPPKPKDKSNLLVFRTNGVSDVPTSPTLQRPTHMNQMVFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCVCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAWAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKWAELANLINNCMDYEPDFRPSFRAIIRDLNSLFTPDYELLTENDMLPNMRIGALGFSGAFEDRDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG
  
Inhibitor
Name:
BDBM398503
Synonyms:
(2R)-3-{[(cis-4-({4-[(Ethyl-5-methyl-1H-pyrazol-3-yl)amino]-1-methyl-1H-benzimidazol-6-yl}oxy)cyclohexyl]amino}-1,1,1-trifluoropropan-2-ol | US10323019, Example 7
Type:
Small organic molecule
Emp. Form.:
C23H31F3N6O2
Mol. Mass.:
480.5264
SMILES:
CCn1nc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc3n(C)cnc23)cc1C |r,wU:13.16,10.9,wD:18.19,(-5.19,-6.6,;-3.86,-5.83,;-2.33,-5.99,;-1.18,-4.97,;.15,-5.74,;1.49,-4.97,;1.49,-3.43,;.15,-2.66,;.15,-1.12,;-1.18,-.35,;-1.18,1.19,;.15,1.96,;.15,3.5,;-1.18,4.27,;-2.51,3.5,;-2.51,1.96,;-1.18,5.81,;-2.51,6.58,;-2.51,8.12,;-1.18,8.89,;-3.85,8.89,;-3.85,10.43,;-5.18,8.12,;-5.18,9.66,;1.49,-.35,;2.82,-1.12,;4.29,-.64,;4.68,.84,;5.19,-1.89,;4.29,-3.14,;2.82,-2.66,;-.17,-7.25,;-1.7,-7.4,;-2.1,-8.89,)|
Structure:
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