Ki Summary

Reaction Details

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Target

Prothrombin

Ligand

BDBM50062620

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_208876 (CHEMBL814934)

IC50

57±n/a nM

Citation

Brady, SF; Stauffer, KJ; Lumma, WC; Smith, GM; Ramjit, HG; Lewis, SD; Lucas, BJ; Gardell, SJ; Lyle, EA; Appleby, SD; Cook, JJ; Holahan, MA; Stranieri, MT; Lynch, JJ; Lin, JH; Chen, IW; Vastag, K; Naylor-Olsen, AM; Vacca, JP Discovery and development of the novel potent orally active thrombin inhibitor N-(9-hydroxy-9-fluorenecarboxy)prolyl trans-4-aminocyclohexylmethyl amide (L-372,460): coapplication of structure-based design and rapid multiple analogue synthesis on solid support. J Med Chem41:401-6 (1998) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Prothrombin

Name:

Prothrombin

Synonyms:

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

BDBM50062620

n/a

Name

BDBM50062620

Synonyms:

(S)-1-(2,3-Diphenyl-propionyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide | CHEMBL341171

Type

Small organic molecule

Emp. Form.

C27H35N3O2

Mol. Mass.

433.5857

SMILES

NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C(Cc2ccccc2)c2ccccc2)CC1 |wU:9.8,(11.99,-2.8,;11.43,-4.24,;11.41,-5.69,;12.71,-7.34,;11.52,-8.67,;11.93,-10.16,;11.31,-11.56,;9.77,-11.72,;9.14,-13.13,;8.88,-10.47,;9.35,-9,;8.11,-8.11,;6.86,-9,;7.34,-10.47,;6.43,-11.72,;7.05,-13.13,;4.9,-11.56,;4.27,-10.15,;2.73,-10,;1.85,-11.24,;.31,-11.08,;-.32,-9.66,;.59,-8.42,;2.12,-8.58,;3.99,-12.8,;4.62,-14.2,;3.71,-15.45,;2.19,-15.29,;1.57,-13.88,;2.47,-12.64,;11.52,-7.13,;10.24,-5.57,)|

Structure