Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50123411
Substrate
n/a
Meas. Tech.
ChEBML_160975
IC50
>10000±n/a nM
Citation
Huang, W; Zhang, P; Zuckett, JF; Wang, L; Woolfrey, J; Song, Y; Jia, ZJ; Clizbe, LA; Su, T; Tran, K; Huang, B; Wong, P; Sinha, U; Park, G; Reed, A; Malinowski, J; Hollenbach, SJ; Scarborough, RM; Zhu, BY Design, synthesis and structure-activity relationships of benzoxazinone-based factor Xa inhibitors. Bioorg Med Chem Lett 13:561-6 (2003) [PubMed] Article
More Info.:
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:
BDBM50123411
Synonyms:
2'-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phenyl}-methanesulfonyl-amino)-methyl]-biphenyl-3-carboxamidine | CHEMBL152344
Type:
Small organic molecule
Emp. Form.:
C28H33N5O3S
Mol. Mass.:
519.658
SMILES:
CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccccc1-c1cccc(c1)C(N)=N)S(C)(=O)=O