Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase receptor R3 [166-493]
Ligand
BDBM451779
Substrate
n/a
Meas. Tech.
Caliper Assay
IC50
150±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:
BDBM451779
Synonyms:
US10710980, Example 11 | US10947218, Example 11
Type:
Small organic molecule
Emp. Form.:
C25H31FN4O2
Mol. Mass.:
438.5376
SMILES:
Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCF)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-4.27,4.96,;-2.93,4.19,;-1.6,4.96,;-.27,4.19,;-.27,2.65,;-1.6,1.88,;-2.93,2.65,;-4.27,1.88,;-5.6,2.65,;-4.27,.34,;-5.6,-.43,;-5.74,-1.96,;-7.13,-2.61,;-8.39,-1.73,;-9.6,-2.38,;-8.26,-.19,;-6.86,.46,;1.07,1.88,;1.07,.34,;2.4,-.43,;3.74,.34,;3.74,1.88,;2.4,2.65,;5.07,-.43,;5.23,1.11,;6.48,.2,;7.51,-.94,;6.74,-2.28,;7.36,-3.68,;8.89,-3.68,;9.6,-4.96,;5.23,-1.96,)|
Structure:
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