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Target
Prothrombin
Ligand
BDBM50062712
Substrate
n/a
Meas. Tech.
ChEMBL_207992 (CHEMBL816075)
IC50
2400±n/a nM
Citation
 Klein, SI; Czekaj, M; Gardner, CJ; Guertin, KR; Cheney, DL; Spada, AP; Bolton, SA; Brown, K; Colussi, D; Heran, CL; Morgan, SR; Leadley, RJ; Dunwiddie, CT; Perrone, MH; Chu, V Identification and initial structure-activity relationships of a novel class of nonpeptide inhibitors of blood coagulation factor Xa. J Med Chem 41:437-50 (1998) [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:
BDBM50062712
Synonyms:
(E)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-methoxy-biphenyl-4-carbonyl)-amino]-5-phenyl-pent-4-enoic acid methyl ester | CHEMBL139561
Type:
Small organic molecule
Emp. Form.:
C34H33N3O4
Mol. Mass.:
547.6435
SMILES:
COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1cccc(OC)c1)\C=C\c1ccccc1
Structure:
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