Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470103

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.040±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:

BDBM50470103

Synonyms:

CHEMBL384341

Type:

Small organic molecule

Emp. Form.:

C62H77F2N13O10

Mol. Mass.:

1202.3527

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(F)cc1F |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.67,(23.78,-1.33,;23.78,-2.87,;22.46,-3.65,;21.13,-2.88,;19.82,-3.65,;21.1,-1.38,;22.3,-.49,;21.78,.96,;20.27,.96,;19.84,-.49,;18.5,-1.26,;18.5,-2.78,;17.18,-.49,;17.18,1.05,;18.53,1.82,;18.53,3.35,;19.88,4.12,;19.88,5.66,;21.22,6.41,;18.56,6.43,;15.85,-1.23,;14.5,-.46,;14.53,1.08,;13.17,-1.22,;13.15,-2.75,;14.49,-3.55,;14.47,-5.09,;15.82,-2.78,;11.83,-.45,;10.51,-1.2,;10.5,-2.74,;9.19,-.43,;9.19,1.12,;8.73,2.57,;7.26,3.05,;7.26,4.59,;8.74,5.08,;9.35,6.46,;10.9,6.62,;11.8,5.38,;11.15,3.96,;9.63,3.82,;7.86,-1.19,;6.52,-.4,;6.52,1.13,;5.16,-1.17,;5.16,-2.71,;6.48,-3.49,;6.48,-5.04,;7.8,-5.81,;9.16,-5.06,;10.48,-5.81,;9.16,-3.51,;7.84,-2.72,;3.84,-.39,;2.52,-1.14,;2.49,-2.68,;1.19,-.37,;1.2,1.16,;2.52,1.92,;-.15,-1.13,;-1.48,-.35,;-1.47,1.18,;-2.82,-1.11,;-2.83,-2.65,;-1.5,-3.42,;-.09,-2.81,;.93,-3.96,;.14,-5.29,;.61,-6.76,;-.42,-7.89,;-1.92,-7.57,;-2.4,-6.1,;-1.35,-4.97,;-4.14,-.33,;-5.5,-1.11,;-5.44,-2.62,;-6.85,-.39,;-8.28,-1.35,;-9.82,-.59,;-9.94,1.13,;-11.49,1.89,;-12.94,.92,;-14.43,1.76,;-12.81,-.81,;-11.24,-1.56,;-10.78,-3.22,)|

Structure: