Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50093133
Substrate
n/a
Meas. Tech.
ChEBML_208334
Ki
>1000000±n/a nM
Citation
 Rice, KD; Gangloff, AR; Kuo, EY; Dener, JM; Wang, VR; Lum, R; Newcomb, WS; Havel, C; Putnam, D; Cregar, L; Wong, M; Warne, RL Dibasic inhibitors of human mast cell tryptase. Part 1: synthesis and optimization of a novel class of inhibitors. Bioorg Med Chem Lett 10:2357-60 (2001) [PubMed]  Article 
Target
Name:
Prothrombin
Synonyms:
Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin precursor | THRB_HUMAN | Thrombin heavy chain | Thrombin light chain
Type:
Protein
Mol. Mass.:
70029.57
Organism:
Homo sapiens (Human)
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM50093133
Synonyms:
CHEMBL79822 | N-(4-Aminomethyl-benzyl)-N'-[4-({[3-(4-aminomethyl-benzylcarbamoyl)-propionyl]-methyl-amino}-methyl)-benzyl]-N'-methyl-succinamide
Type:
Small organic molecule
Emp. Form.:
C34H44N6O4
Mol. Mass.:
600.751
SMILES:
CN(Cc1ccc(CN(C)C(=O)CCC(=O)NCc2ccc(CN)cc2)cc1)C(=O)CCC(=O)NCc1ccc(CN)cc1
Structure:
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