Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470105

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.023±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:

BDBM50470105

Synonyms:

CHEMBL405993

Type:

Small organic molecule

Emp. Form.:

C63H83FN14O11

Mol. Mass.:

1231.4187

SMILES:

CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:60.65,12.20,wD:48.59,23.28,31.46,5.4,66.69,(29.35,-7.64,;29.38,-9.17,;28.05,-9.96,;26.71,-9.2,;25.41,-9.96,;26.68,-7.69,;27.89,-6.8,;27.38,-5.36,;25.84,-5.36,;25.42,-6.81,;24.09,-7.56,;24.07,-9.1,;22.74,-6.8,;22.77,-5.26,;24.1,-4.49,;24.12,-2.95,;25.45,-2.19,;25.47,-.66,;26.81,.12,;24.13,.13,;21.42,-7.56,;20.09,-6.78,;20.1,-5.23,;18.75,-7.52,;18.73,-9.07,;20.07,-9.87,;20.04,-11.39,;21.39,-9.09,;17.41,-6.75,;16.07,-7.51,;16.07,-9.04,;14.75,-6.74,;14.84,-5.2,;13.62,-4.24,;14.13,-2.78,;12.78,-1.75,;13.45,-.37,;12.59,.94,;13.25,2.32,;11.01,.8,;10.17,2.09,;8.59,1.96,;7.94,.58,;8.84,-.71,;10.36,-.56,;13.43,-7.49,;12.07,-6.72,;12.07,-5.17,;10.74,-7.48,;10.74,-9.01,;12.06,-9.8,;13.39,-9.04,;14.74,-9.81,;14.71,-11.36,;16.04,-12.14,;13.38,-12.12,;12.04,-11.35,;9.42,-6.69,;8.07,-7.45,;8.06,-9.01,;6.75,-6.67,;6.75,-5.14,;8.09,-4.39,;5.4,-7.43,;4.07,-6.65,;4.1,-5.13,;2.72,-7.42,;2.72,-8.96,;4.04,-9.75,;5.46,-9.13,;6.49,-10.26,;5.71,-11.61,;6.17,-13.07,;5.14,-14.2,;3.62,-13.88,;3.16,-12.41,;4.2,-11.29,;1.4,-6.65,;.06,-7.4,;.06,-8.93,;-1.28,-6.65,;-2.74,-7.58,;-4.28,-6.78,;-4.34,-5.06,;-5.87,-4.27,;-7.32,-5.19,;-8.82,-4.32,;-7.24,-6.91,;-5.71,-7.71,)|

Structure: