Ki Summary

Reaction Details

Report a problem with these data

Target

Prothrombin

Ligand

BDBM50062637

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_208876 (CHEMBL814934)

IC50

50±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

BDBM50062637

n/a

Name

BDBM50062637

Synonyms:

(S)-1-[2-(3,4,5-Trimethoxy-phenyl)-acetyl]-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide | CHEMBL334482

Type

Small organic molecule

Emp. Form.

C23H35N3O5

Mol. Mass.

433.5411

SMILES

COc1cc(CC(=O)N2CCC[C@H]2C(=O)NCC2CCC(N)CC2)cc(OC)c1OC |wU:12.13,(-.58,-12.31,;.03,-13.72,;1.57,-13.88,;2.47,-12.65,;4,-12.81,;4.91,-11.57,;6.44,-11.73,;7.05,-13.14,;7.35,-10.48,;6.86,-9.01,;8.12,-8.12,;9.36,-9.01,;8.89,-10.48,;9.78,-11.73,;9.15,-13.14,;11.32,-11.57,;11.94,-10.17,;11.53,-8.68,;11.53,-7.14,;10.25,-5.57,;11.44,-4.24,;11.99,-2.81,;11.41,-5.69,;12.72,-7.35,;4.63,-14.21,;3.72,-15.46,;4.35,-16.87,;3.44,-18.1,;2.19,-15.3,;1.28,-16.54,;-.25,-16.38,)|

Structure