Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50129969
Substrate
n/a
Meas. Tech.
ChEMBL_2201632 (CHEMBL5114340)
IC50
15±n/a nM
Citation
 Jiang, X; Wu, K; Bai, R; Zhang, P; Zhang, Y Functionalized quinoxalinones as privileged structures with broad-ranging pharmacological activities. Eur J Med Chem 229:0 (2022) [PubMed] 
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:
BDBM50129969
Synonyms:
CHEMBL74263 | N-{1-[3-(4-Carbamimidoyl-benzyl)-1-methyl-2-oxo-1,2-dihydro-quinoxalin-6-yl]-cyclopropyl}-N-cyclopentyl-malonamic acid
Type:
Small organic molecule
Emp. Form.:
C28H31N5O4
Mol. Mass.:
501.5768
SMILES:
Cn1c2ccc(cc2nc(Cc2ccc(cc2)C(N)=N)c1=O)C1(CC1)N(C1CCCC1)C(=O)CC(O)=O
Structure:
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