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Target
Thrombin
Ligand
BDBM50206802
Substrate
n/a
Meas. Tech.
ChEMBL_1629275 (CHEMBL3871901)
IC50
1950±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:
BDBM50206802
Synonyms:
CHEMBL3935798
Type:
Small organic molecule
Emp. Form.:
C36H42N8O3
Mol. Mass.:
634.7705
SMILES:
Cc1nc(C)c(OC(=O)\N=C(/N)c2ccc(CC3NCCn4c3nc3cc(ccc43)C3(CCCC3)C(=O)N3CCCC3)cc2)nc1C
Structure:
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