Reaction Details Report a problem with these data
Target
Transforming growth factor beta-1 proprotein
Ligand
BDBM50525413
Substrate
n/a
Meas. Tech.
ChEMBL_2161333 (CHEMBL5046083)
IC50
6700±n/a nM
Citation
 Takayama, K; Hitachi, K; Okamoto, H; Saitoh, M; Odagiri, M; Ohfusa, R; Shimada, T; Taguchi, A; Taniguchi, A; Tsuchida, K; Hayashi, Y Development of Myostatin Inhibitory d-Peptides to Enhance the Potency, Increasing Skeletal Muscle Mass in Mice. ACS Med Chem Lett 13:492-498 (2022) [PubMed]  Article 
Target
Name:
Transforming growth factor beta-1 proprotein
Synonyms:
LAP | Latency-associated peptide | TGF-beta-1 | TGFB | TGFB1 | TGFB1_HUMAN | Transforming growth factor beta-1
Type:
PROTEIN
Mol. Mass.:
44353.76
Organism:
Homo sapiens (Human)
Description:
ChEMBL_768740
Residue:
390
Sequence:
MPPSGLRLLLLLLPLLWLLVLTPGRPAAGLSTCKTIDMELVKRKRIEAIRGQILSKLRLASPPSQGEVPPGPLPEAVLALYNSTRDRVAGESAEPEPEPEADYYAKEVTRVLMVETHNEIYDKFKQSTHSIYMFFNTSELREAVPEPVLLSRAELRLLRLKLKVEQHVELYQKYSNNSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLSRGGEIEGFRLSAHCSCDSRDNTLQVDINGFTTGRRGDLATIHGMNRPFLLLMATPLERAQHLQSSRHRRALDTNYCFSSTEKNCCVRQLYIDFRKDLGWKWIHEPKGYHANFCLGPCPYIWSLDTQYSKVLALYNQHNPGASAAPCCVPQALEPLPIVYYVGRKPKVEQLSNMIVRSCKCS
  
Inhibitor
Name:
BDBM50525413
Synonyms:
CHEMBL4448117
Type:
Small organic molecule
Emp. Form.:
C114H173N29O19
Mol. Mass.:
2253.7763
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Structure:
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