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Target
Serine/threonine-protein kinase receptor R3 [166-493]
Ligand
BDBM451825
Substrate
n/a
Meas. Tech.
Caliper Assay
IC50
140±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  US10710980 Publication Date 7/14/2020 
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:
BDBM451825
Synonyms:
US10710980, Example 54 | US10947218, Example 54
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:23.25,10.10,wD:13.14,25.27,(-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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