Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50189309
Substrate
n/a
Meas. Tech.
ChEMBL_1591273 (CHEMBL3829806)
Ki
10100±n/a nM
Citation
 Beckmann, AM; Gilberg, E; Gattner, S; Huang, TL; Vanden Eynde, JJ; Mayence, A; Bajorath, J; Stirnberg, M; Gütschow, M Evaluation of bisbenzamidines as inhibitors for matriptase-2. Bioorg Med Chem Lett 26:3741-5 (2016) [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:
BDBM50189309
Synonyms:
CHEMBL9126
Type:
Small organic molecule
Emp. Form.:
C18H22N6
Mol. Mass.:
322.4075
SMILES:
NC(=N)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C(N)=N
Structure:
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