Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50177200
Substrate
n/a
Meas. Tech.
ChEMBL_334642 (CHEMBL854113)
IC50
69000±n/a nM
Citation
 Kohrt, JT; Filipski, KJ; Cody, WL; Cai, C; Dudley, DA; Van Huis, CA; Willardsen, JA; Narasimhan, LS; Zhang, E; Rapundalo, ST; Saiya-Cork, K; Leadley, RJ; Edmunds, JJ The discovery of fluoropyridine-based inhibitors of the factor VIIa/TF complex--Part 2. Bioorg Med Chem Lett 16:1060-4 (2006) [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:
BDBM50177200
Synonyms:
6-[6-(3-carbamimidoyl-phenoxy)-4-diisopropylamino-3,5-difluoro-pyridin-2-yloxy]-N-(3-methoxy-benzyl)-isophthalamic acid trifluoro-acetic acid | CHEMBL204084
Type:
Small organic molecule
Emp. Form.:
C34H35F2N5O6
Mol. Mass.:
647.6684
SMILES:
COc1cccc(CNC(=O)c2ccc(Oc3nc(Oc4cccc(c4)C(N)=N)c(F)c(N(C(C)C)C(C)C)c3F)c(c2)C(O)=O)c1
Structure:
Search PDB for entries with ligand similarity: