Reaction Details  Report a problem with these data
Target
Activin receptor type-1
Ligand
BDBM50596224
Substrate
n/a
Meas. Tech.
ChEMBL_2219790 (CHEMBL5133124)
IC50
21±n/a nM
Citation
 Witten, MR; Wu, L; Lai, CT; Kapilashrami, K; Pusey, M; Gallagher, K; Chen, Y; Yao, W Inhibition of ALK2 with bicyclic pyridyllactams. Bioorg Med Chem Lett 55:0 (2022) [PubMed]  Article
Target
Name:
Activin receptor type-1
Synonyms:
2.7.11.30 | ACTR-I | ACVR1 | ACVR1_HUMAN | ACVRLK2 | ALK-2 | ALK2/ACVR1 | Activin receptor type I | Activin receptor-like kinase 2 | Activin receptor-like kinase 2 (ALK-2) | Activin receptor-like kinase 2 (ALK2/ACVR1) | Q04771 | SKR1 | Serine/threonine-protein kinase receptor R1 | TGF-B superfamily receptor type I | TSR-I
Type:
n/a
Mol. Mass.:
57158.32
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
509
Sequence:
MVDGVMILPVLIMIALPSPSMEDEKPKVNPKLYMCVCEGLSCGNEDHCEGQQCFSSLSINDGFHVYQKGCFQVYEQGKMTCKTPPSPGQAVECCQGDWCNRNITAQLPTKGKSFPGTQNFHLEVGLIILSVVFAVCLLACLLGVALRKFKRRNQERLNPRDVEYGTIEGLITTNVGDSTLADLLDHSCTSGSGSGLPFLVQRTVARQITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFGTQGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKIDNSLDKLKTDC
  
Inhibitor
Name:
BDBM50596224
Synonyms:
CHEMBL5196379
Type:
Small organic molecule
Emp. Form.:
C23H32N6O2
Mol. Mass.:
424.5392
SMILES:
CC1(O)CCC(CC1)N1CCc2c(cnc(N)c2C1=O)-c1cnn(c1)C1CCNCC1 |(-6.56,3.49,;-5.79,2.16,;-7.33,2.16,;-5.79,.62,;-4.45,-.15,;-3.12,.62,;-3.12,2.16,;-4.45,2.93,;-1.79,-.15,;-.45,.62,;.88,-.15,;.88,-1.69,;2.21,-2.46,;2.21,-4,;.88,-4.77,;-.45,-4.01,;-1.79,-4.78,;-.45,-2.46,;-1.79,-1.69,;-3.12,-2.46,;3.54,-1.69,;5,-2.15,;5.92,-.9,;5.04,.32,;3.54,-.15,;5.44,1.8,;6.93,2.2,;7.33,3.69,;6.24,4.78,;4.75,4.38,;4.35,2.89,)|
Structure:
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