Ki Summary

Reaction Details

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Target

Metalloproteinase inhibitor 3

Ligand

BDBM50073906

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_104705

IC50

39±n/a nM

Citation

Fink, CA; Carlson, JE; Boehm, C; McTaggart, P; Qiao, Y; Doughty, J; Ganu, V; Melton, R; Goldberg, R Design and synthesis of thiol containing inhibitors of matrix metalloproteinases. Bioorg Med Chem Lett9:195-200 (1999) [PubMed]

More Info.:

Get all data from this article, Assay Method

Metalloproteinase inhibitor 3

Name:

Metalloproteinase inhibitor 3

Synonyms:

TIMP3_RAT | Timp-3 | Timp3 | Tissue inhibitor of metalloproteinases 3 | Tissue inhibitor of metalloproteinases-3

Type:

PROTEIN

Mol. Mass.:

24241.51

Organism:

Rattus norvegicus

Description:

ChEMBL_10750

Residue:

211

Sequence:

MTPWLGLVVLLSCWSLGHWGTEACTCSPSHPQDAFCNSDIVIRAKVVGKKLVKEGPFGTL
VYTIKQMKMYRGFSKMPHVQYIHTEASESLCGLKLEVNKYQYLLTGRVYEGKMYTGLCNF
VERWDHLTLSQRKGLNYRYHLGCNCKIKSCYYLPCFVTSKKECLWTDMLSNFGYPGYQSK
HYACIRQKGGYCSWYRGWAPPDKSISNATDP

BDBM50073906

n/a

Name

BDBM50073906

Synonyms:

4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid [(S)-1-(4-methoxy-phenylcarbamoyl)-2-phenyl-ethyl]-amide | CHEMBL291695

Type

Small organic molecule

Emp. Form.

C26H34N2O4S

Mol. Mass.

470.624

SMILES

CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1 |wU:6.11,14.14,3.2,wD:6.6,(-7.72,-12.8,;-7.72,-11.24,;-6.38,-10.5,;-6.38,-8.96,;-7.7,-8.19,;-7.7,-6.65,;-6.38,-5.88,;-7.72,-5.11,;-7.72,-3.57,;-5.06,-6.65,;-5.06,-8.19,;-5.06,-5.11,;-5.06,-3.57,;-3.71,-5.88,;-2.37,-5.11,;-2.37,-3.57,;-1.63,-2.22,;-2.41,-.91,;-1.67,.44,;-.13,.47,;.67,-.87,;-.09,-2.21,;-1.05,-5.88,;-1.05,-7.42,;.29,-5.11,;1.61,-5.88,;1.6,-7.42,;2.93,-8.19,;4.27,-7.42,;5.61,-8.21,;5.59,-9.75,;4.28,-5.88,;2.95,-5.1,)|

Structure