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Target
Thrombin
Ligand
BDBM50206807
Substrate
n/a
Meas. Tech.
ChEMBL_1629275 (CHEMBL3871901)
IC50
>1000000±n/a nM
Citation
 Chen, D; Shi, J; Liu, J; Zhang, X; Deng, X; Yang, Y; Cui, S; Zhu, Q; Gong, G; Xu, Y Design, synthesis and antithrombotic evaluation of novel non-peptide thrombin inhibitors. Bioorg Med Chem 25:458-470 (2017) [PubMed]  Article 
Target
Name:
Thrombin
Synonyms:
Thrombin
Type:
PROTEIN
Mol. Mass.:
27104.73
Organism:
Oryctolagus cuniculus
Description:
ChEMBL_104556
Residue:
235
Sequence:
QELLCAASLISDRWVLTAAHCLLYPPWDKNFTVNDILVRIGKYARSRYERNMEKISTLEKIIIHPGYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDKQIVTSLLQAGHKGRVTGWGNLKEMWTVNMNEVQPSVLQMVNLPLVERPICKASTGIRVTDNMFCAGYKPEEGKRGDACEGDSGGPFVMKNPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIRKMVDRFG
  
Inhibitor
Name:
BDBM50206807
Synonyms:
CHEMBL3890936
Type:
Small organic molecule
Emp. Form.:
C44H46N6O5
Mol. Mass.:
738.8732
SMILES:
N\C(=N/C(=O)OCc1ccccc1)c1ccc(CC2N(CCn3c2nc2cc(ccc32)C2(CCCC2)C(=O)N2CCCC2)C(=O)OCc2ccccc2)cc1
Structure:
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