Reaction Details Report a problem with these data
Target
Bone morphogenetic protein receptor type-1A [198-525]
Ligand
BDBM451824
Substrate
n/a
Meas. Tech.
ADPGlo Assay
IC50
1200±n/a nM
Citation
 Arista, L; Babu, S; Bian, J; Cui, K; Dillon, MP; Lattmann, R; Li, J; Liao, L; Lizos, D; Ramos, R; Stiefl, NJ; Ullrich, T; Usselmann, P; Wang, X; Waykole, LM; Weiler, S; Zhang, Y; Zhou, Y; Zhu, T Aminopyridine derivatives and their use as selective ALK-2 inhibitors US Patent  US10947218 Publication Date 3/16/2021 
Target
Name:
Bone morphogenetic protein receptor type-1A [198-525]
Synonyms:
ACVRLK3 | ALK3 | Activin receptor-like kinase 3 (ALK3) (aa 198-525) | Activin receptor-like kinase 3 (ALK3)(198-525) | BMPR1A | BMR1A_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
37140.17
Organism:
Homo sapiens (Human)
Description:
aa 198-525
Residue:
328
Sequence:
AFIPVGESLKDLIDQSQSSGSGSGLPLLVQRTIAKQIQMVRQVGKGRYGEVWMGKWRGEKVAVKVFFTTEEASWFRETEIYQTVLMRHENILGFIAADIKGTGSWTQLYLITDYHENGSLYDFLKCATLDTRALLKLAYSAACGLCHLHTEIYGTQGKPAIAHRDLKSKNILIKKNGSCCIADLGLAVKFNSDTNEVDVPLNTRVGTKRYMAPEVLDESLNKNHFQPYIMADIYSFGLIIWEMARRCITGGIVEEYQLPYYNMVPSDPSYEDMREVVCVKRLRPIVSNRWNSDECLRAVLKLMSECWAHNPASRLTALRIKKTLAKMV
  
Inhibitor
Name:
BDBM451824
Synonyms:
US10710980, Example 53 | US10947218, Example 53
Type:
Small organic molecule
Emp. Form.:
C26H30N4O2
Mol. Mass.:
430.542
SMILES:
Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CC#C)C2 |r,wU:10.10,25.27,wD:23.25,13.14,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|
Structure:
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