Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50098210
Substrate
n/a
Meas. Tech.
ChEMBL_209071 (CHEMBL809537)
IC50
18200±n/a nM
Citation
 Zhang, HC; Derian, CK; Andrade-Gordon, P; Hoekstra, WJ; McComsey, DF; White, KB; Poulter, BL; Addo, MF; Cheung, WM; Damiano, BP; Oksenberg, D; Reynolds, EE; Pandey, A; Scarborough, RM; Maryanoff, BE Discovery and optimization of a novel series of thrombin receptor (par-1) antagonists: potent, selective peptide mimetics based on indole and indazole templates. J Med Chem 44:1021-4 (2001) [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:
BDBM50098210
Synonyms:
5-Guanidino-2-(3-(4-methoxy-phenyl)-2-{3-[3-pyrrolidin-1-ylmethyl-1-(4-trifluoromethoxy-benzyl)-1H-indol-6-yl]-ureido}-propionylamino)-pentanoic acid benzylamide | CHEMBL268328
Type:
Small organic molecule
Emp. Form.:
C45H52F3N9O5
Mol. Mass.:
855.9469
SMILES:
COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4ccc(OC(F)(F)F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity: