Reaction Details  Report a problem with these data
Target
Activin receptor type-1
Ligand
BDBM50596202
Substrate
n/a
Meas. Tech.
ChEMBL_2219790 (CHEMBL5133124)
IC50
142±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:
BDBM50596202
Synonyms:
CHEMBL5209497
Type:
Small organic molecule
Emp. Form.:
C27H35FN4O
Mol. Mass.:
450.5914
SMILES:
C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(C)CC1 |r,wU:1.0,(8.69,2.71,;7.23,3.19,;6.75,4.65,;5.21,4.65,;4.73,3.19,;5.98,2.28,;5.98,.74,;4.65,-.03,;4.65,-1.57,;3.31,-2.34,;1.98,-1.57,;1.98,-.03,;3.31,.74,;3.31,2.28,;.65,-2.34,;.65,-3.88,;-.69,-4.65,;-2.02,-3.88,;-3.36,-4.65,;-2.02,-2.34,;-3.36,-1.57,;-4.69,-2.34,;-3.36,-.03,;-2.02,.74,;-.69,-.03,;-.69,-1.57,;-4.69,.74,;-4.69,2.28,;-6.02,3.05,;-7.36,2.28,;-8.69,3.05,;-7.36,.74,;-6.02,-.03,)|
Structure:
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