Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470123

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.085±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:

BDBM50470123

Synonyms:

CHEMBL415643

Type:

Small organic molecule

Emp. Form.:

C62H79N13O11

Mol. Mass.:

1182.3712

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](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(O)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.67,(27.17,-9.81,;27.19,-11.34,;25.87,-12.13,;24.53,-11.35,;23.23,-12.13,;24.5,-9.86,;25.71,-8.97,;25.2,-7.52,;23.66,-7.52,;23.24,-8.97,;21.91,-9.73,;21.89,-11.26,;20.57,-8.97,;20.59,-7.42,;21.92,-6.65,;21.94,-5.12,;23.27,-4.35,;23.29,-2.81,;24.63,-2.06,;21.95,-2.04,;19.25,-9.71,;17.91,-8.94,;17.92,-7.39,;16.57,-9.7,;16.56,-11.22,;17.89,-12.03,;17.86,-13.56,;19.21,-11.26,;15.24,-8.92,;13.9,-9.68,;13.9,-11.21,;12.58,-8.9,;12.6,-7.36,;12.13,-5.91,;10.66,-5.42,;10.66,-3.88,;12.13,-3.39,;12.76,-2.01,;14.28,-1.85,;15.19,-3.09,;14.56,-4.51,;13.03,-4.65,;11.26,-9.67,;9.9,-8.87,;9.9,-7.35,;8.57,-9.64,;8.57,-11.18,;9.89,-11.96,;11.22,-11.19,;12.57,-11.99,;12.54,-13.53,;13.86,-14.28,;11.21,-14.28,;9.87,-13.51,;7.25,-8.86,;5.91,-9.61,;5.9,-11.16,;4.59,-8.84,;4.59,-7.31,;5.93,-6.55,;3.23,-9.6,;1.91,-8.83,;1.93,-7.29,;.56,-9.58,;.56,-11.13,;1.88,-11.9,;3.3,-11.29,;4.33,-12.44,;3.54,-13.77,;4.01,-15.24,;2.97,-16.37,;1.46,-16.04,;1,-14.57,;2.04,-13.45,;-.76,-8.81,;-2.09,-9.58,;-2.08,-11.09,;-3.45,-8.83,;-4.89,-9.76,;-6.43,-8.97,;-7.86,-9.9,;-9.4,-9.13,;-9.49,-7.41,;-11.01,-6.55,;-8.04,-6.48,;-6.51,-7.26,)|

Structure: