Reaction Details |
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Target | Prothrombin |
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Ligand | BDBM50054500 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_208136 (CHEMBL816448) |
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IC50 | 1460±n/a nM |
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Citation | Semple, JE; Rowley, DC; Brunck, TK; Ha-Uong, T; Minami, NK; Owens, TD; Tamura, SY; Goldman, EA; Siev, DV; Ardecky, RJ; Carpenter, SH; Ge, Y; Richard, BM; Nolan, TG; Håkanson, K; Tulinsky, A; Nutt, RF; Ripka, WC Design, synthesis, and evolution of a novel, selective, and orally bioavailable class of thrombin inhibitors: P1-argininal derivatives incorporating P3-P4 lactam sulfonamide moieties. J Med Chem39:4531-6 (1996) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Prothrombin |
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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: | MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLEREC
VEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHV
NITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQE
CSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASA
QAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETG
DGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYI
DGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTEN
DLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHP
VCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDST
RIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKY
GFYTHVFRLKKWIQKVIDQFGE
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BDBM50054500 |
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n/a |
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Name | BDBM50054500 |
Synonyms: | CHEMBL140646 | {(S)-1-[((S)-3-Carbamimidoyl-2-hydroxy-cyclohexylcarbamoyl)-methyl]-2-oxo-piperidin-3-yl}-carbamic acid tert-butyl ester |
Type | Small organic molecule |
Emp. Form. | C19H33N5O5 |
Mol. Mass. | 411.4958 |
SMILES | CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)N[C@H]2CCCC(C2O)C(N)=N)C1=O |
Structure |
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