Reaction Details Report a problem with these data
Target
Bone morphogenetic protein receptor type-1A [198-525]
Ligand
BDBM451805
Substrate
n/a
Meas. Tech.
ADPGlo Assay
IC50
960±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:
BDBM451805
Synonyms:
US10710980, Example 37 | US10947218, Example 37
Type:
Small organic molecule
Emp. Form.:
C27H32N4O2
Mol. Mass.:
444.5686
SMILES:
CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(11.1,-4.32,;9.56,-4.32,;8.02,-4.32,;6.48,-4.32,;5.85,-2.92,;6.62,-1.58,;5.59,-.44,;4.35,.47,;4.19,-1.07,;4.35,-2.6,;2.85,-.3,;1.52,-1.07,;.18,-.3,;.18,1.24,;1.52,2.01,;2.85,1.24,;-1.15,2.01,;-1.15,3.55,;-2.48,4.32,;-3.82,3.55,;-5.15,4.32,;-3.82,2.01,;-2.48,1.24,;-5.15,1.24,;-6.48,2.01,;-5.15,-.3,;-6.64,-.69,;-7.04,-2.18,;-8.52,-2.58,;-9.61,-1.49,;-11.1,-1.89,;-9.21,-0,;-7.73,.39,)|
Structure:
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