Reaction Details  Report a problem with these data
Target
Activin receptor type-1
Ligand
BDBM50596225
Substrate
n/a
Meas. Tech.
ChEMBL_2219790 (CHEMBL5133124)
IC50
5.3±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:
BDBM50596225
Synonyms:
CHEMBL5175201
Type:
Small organic molecule
Emp. Form.:
C26H34N6O
Mol. Mass.:
446.5878
SMILES:
Nc1ncc(-c2cnn(c2)C2CCNCC2)c2CCN(C3C4CC5CC(C4)CC3C5)C(=O)c12 |TLB:29:28:26:22.23.24,THB:24:23:20:27.25.26,24:25:20:22.29.23,19:20:26:22.23.24,29:23:20.28.27:26,(-1.87,-4.78,;-.53,-4.01,;.8,-4.77,;2.13,-4,;2.13,-2.46,;3.46,-1.69,;4.92,-2.15,;5.84,-.9,;4.96,.32,;3.46,-.15,;5.36,1.8,;6.85,2.2,;7.25,3.69,;6.16,4.78,;4.67,4.38,;4.27,2.89,;.8,-1.69,;.8,-.15,;-.53,.62,;-1.87,-.15,;-3.2,.62,;-4.87,1.23,;-4.93,2.67,;-5.81,3.84,;-7.25,3.25,;-7.24,1.71,;-6.26,.64,;-5.67,1.23,;-4.19,1.86,;-4.21,3.4,;-1.87,-1.69,;-3.2,-2.46,;-.53,-2.46,)|
Structure:
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