Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase receptor R3 [166-493]
Ligand
BDBM451780
Substrate
n/a
Meas. Tech.
Caliper Assay
IC50
160±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:
Serine/threonine-protein kinase receptor R3 [166-493]
Synonyms:
ACVL1_HUMAN | ACVRL1 | ACVRLK1 | ALK1 | Activin receptor-like kinase 1 (ALK1)(aa 166-493)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
36974.75
Organism:
Homo sapiens (Human)
Description:
aa 166-493
Residue:
328
Sequence:
ASEQGDSMLGDLLDSDCTTGSGSGLPFLVQRTVARQVALVECVGKGRYGEVWRGLWHGESVAVKIFSSRDEQSWFRETEIYNTVLLRHDNILGFIASDMTSRNSSTQLWLITHYHEHGSLYDFLQRQTLEPHLALRLAVSAACGLAHLHVEIFGTQGKPAIAHRDFKSRNVLVKSNLQCCIADLGLAVMHSQGSDYLDIGNNPRVGTKRYMAPEVLDEQIRTDCFESYKWTDIWAFGLVLWEIARRTIVNGIVEDYRPPFYDVVPNDPSFEDMKKVVCVDQQTPTIPNRLAADPVLSGLAQMMRECWYPNPSARLTALRIKKTLQKIS
  
Inhibitor
Name:
BDBM451780
Synonyms:
US10710980, Example 12 | US10947218, Example 12
Type:
Small organic molecule
Emp. Form.:
C25H34N4O2
Mol. Mass.:
422.5631
SMILES:
CC(C)N1CCC(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(6.61,-4.95,;7.51,-3.7,;9.04,-3.86,;6.89,-2.29,;7.66,-.96,;6.63,.18,;5.22,-.44,;5.38,-1.97,;3.88,.33,;2.55,-.44,;1.22,.33,;1.22,1.87,;2.55,2.64,;3.88,1.87,;-.12,2.64,;-.12,4.18,;-1.45,4.95,;-2.78,4.18,;-4.12,4.95,;-2.78,2.64,;-1.45,1.87,;-4.12,1.87,;-5.45,2.64,;-4.12,.33,;-5.45,-.44,;-5.32,-1.98,;-6.58,-2.86,;-7.97,-2.21,;-9.04,-3.06,;-8.11,-.67,;-6.85,.21,)|
Structure:
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