Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470095

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.089±n/a nM

Citation

Haviv, F; Fitzpatrick, TD; Nichols, CJ; Bush, EN; Diaz, G; Bammert, G; Nguyen, AT; Johnson, ES; Knittle, J; Greer, J In vitro and in vivo activities of reduced-size antagonists of luteinizing hormone-releasing hormone. J Med Chem 37:701-5 (1994) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Target

Name:

Gonadotropin-releasing hormone receptor

Synonyms:

GNRHR_RAT | GnRH receptor | GnRH-R | Gnrhr

Type:

PROTEIN

Mol. Mass.:

37767.60

Organism:

Rattus norvegicus

Description:

ChEMBL_1335047

Residue:

327

Sequence:

MANNASLEQDQNHCSAINNSIPLTQGKLPTLTLSGKIRVTVTFFLFLLSTAFNASFLVKLQRWTQKRKKGKKLSRMKVLLKHLTLANLLETLIVMPLDGMWNITVQWYAGEFLCKVLSYLKLFSMYAPAFMMVVISLDRSLAVTQPLAVQSKSKLERSMTSLAWILSIVFAGPQLYIFRMIYLADGSGPAVFSQCVTHCSFPQWWHEAFYNFFTFSCLFIIPLLIMLICNAKIIFALTRVLHQDPRKLQLNQSKNNIPRARLRTLKMTVAFGTSFVICWTPYYVLGIWYWFDPEMLNRVSEPVNHFFFLFAFLNPCFDPLIYGYFSL

Inhibitor

Name:

BDBM50470095

Synonyms:

CHEMBL216589

Type:

Small organic molecule

Emp. Form.:

C60H76ClFN12O10

Mol. Mass.:

1179.771

SMILES:

CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCc1ccc(F)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.76,(21.37,-6.49,;21.39,-8.02,;20.07,-8.81,;18.73,-8.03,;17.43,-8.81,;18.7,-6.54,;19.91,-5.65,;19.4,-4.2,;17.86,-4.2,;17.44,-5.65,;16.11,-6.41,;16.09,-7.94,;14.77,-5.65,;14.79,-4.1,;16.12,-3.33,;16.14,-1.8,;17.47,-1.03,;17.49,.5,;18.83,1.26,;16.15,1.28,;13.45,-6.39,;12.11,-5.62,;12.13,-4.07,;10.77,-6.38,;10.76,-7.9,;12.09,-8.71,;13.41,-7.94,;12.06,-10.25,;9.44,-5.61,;8.1,-6.36,;8.1,-7.89,;6.78,-5.58,;6.8,-4.04,;6.33,-2.59,;4.87,-2.11,;4.87,-.56,;6.33,-.08,;6.96,1.31,;8.48,1.47,;9.39,.23,;8.76,-1.19,;7.23,-1.33,;5.46,-6.35,;4.1,-5.55,;4.1,-4.03,;2.77,-6.33,;2.77,-7.86,;4.09,-8.65,;5.42,-7.87,;6.77,-8.67,;6.74,-10.21,;8.07,-10.97,;5.41,-10.97,;4.07,-10.19,;1.45,-5.54,;.11,-6.29,;.1,-7.84,;-1.21,-5.52,;-1.21,-4,;.13,-3.23,;-2.57,-6.28,;-3.89,-5.51,;-3.87,-3.97,;-5.24,-6.26,;-5.24,-7.81,;-3.92,-8.58,;-4.02,-10.13,;-2.73,-10.97,;-1.34,-10.31,;-.02,-11.08,;-1.25,-8.77,;-2.53,-7.9,;-6.56,-5.49,;-7.89,-6.25,;-7.85,-7.76,;-9.27,-5.55,;-10.69,-6.52,;-12.24,-5.8,;-13.65,-6.78,;-15.2,-6.04,;-15.36,-4.33,;-16.86,-3.52,;-13.94,-3.33,;-12.39,-4.07,)|

Structure: