Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase receptor R3 [166-493]
Ligand
BDBM451799
Substrate
n/a
Meas. Tech.
Caliper Assay
IC50
230±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:
BDBM451799
Synonyms:
2-amino-N-((1r,4R)-4-hydroxycyclohexyl)-5-(4-(((R)-2-methylpyrrolidin-1-yl)methyl)phenyl)nicotinamide | US10710980, Example 31 | US10947218, Example 31
Type:
Small organic molecule
Emp. Form.:
C24H32N4O2
Mol. Mass.:
408.5365
SMILES:
C[C@@H]1CCCN1Cc1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:1.0,23.25,wD:26.29,(8.86,-3.39,;8.86,-1.85,;9.89,-.71,;9.12,.62,;7.61,.3,;7.45,-1.23,;6.12,-2,;4.78,-1.23,;3.45,-2,;2.12,-1.23,;2.12,.31,;3.45,1.08,;4.78,.31,;.78,1.08,;.78,2.62,;-.55,3.39,;-1.89,2.62,;-3.22,3.39,;-1.89,1.08,;-.55,.31,;-3.22,.31,;-3.22,-1.23,;-4.55,1.08,;-5.89,.31,;-5.89,-1.23,;-7.22,-2,;-8.55,-1.23,;-9.89,-2,;-8.55,.31,;-7.22,1.08,)|
Structure:
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