Reaction Details Report a problem with these data
Target
Activin receptor type-1 [172-499]
Ligand
BDBM451785
Substrate
n/a
Meas. Tech.
Caliper Assay
IC50
14.0±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
More Info.:
Target
Name:
Activin receptor type-1 [172-499]
Synonyms:
ACVR1 | ACVR1_HUMAN | ACVRLK2 | Activin receptor type-1 (ACVR1) | Activin receptor-like kinase 2 (ALK-2)(aa 172-499) | Activin receptor-like kinase 2 (ALK2)(172-499)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
37139.64
Organism:
Homo sapiens (Human)
Description:
aa 172-499
Residue:
328
Sequence:
TTNVGDSTLADLLDHSCTSGSGSGLPFLVQRTVARQITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFGTQGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
Inhibitor
Name:
BDBM451785
Synonyms:
US10710980, Example 17 | US10947218, Example 17
Type:
Small organic molecule
Emp. Form.:
C26H31F3N4O2
Mol. Mass.:
488.5451
SMILES:
Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCC(F)(F)F)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-4.76,5.73,;-3.43,4.96,;-2.1,5.73,;-.76,4.96,;-.76,3.42,;-2.1,2.65,;-3.43,3.42,;-4.76,2.65,;-6.1,3.42,;-4.76,1.11,;-6.25,.72,;-6.65,-.77,;-8.14,-1.17,;-9.23,-.08,;-10.72,-.48,;-8.83,1.41,;-7.34,1.81,;.57,2.65,;.57,1.11,;1.9,.34,;3.24,1.11,;3.24,2.65,;1.9,3.42,;4.57,.34,;4.73,1.88,;5.98,.97,;7.01,-.17,;6.24,-1.51,;6.86,-2.91,;8.41,-2.91,;9.18,-4.25,;10.72,-4.25,;8.41,-5.58,;9.57,-5.73,;4.73,-1.19,)|