Ki Summary

Reaction Details

Report a problem with these data

Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470087

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.076±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:

BDBM50470087

Synonyms:

CHEMBL428093

Type:

Small organic molecule

Emp. Form.:

C62H78ClN13O10

Mol. Mass.:

1200.817

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(Cl)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.67,(30.68,-5.02,;30.68,-6.54,;29.36,-7.34,;28.03,-6.58,;26.73,-7.34,;28,-5.06,;29.2,-4.18,;28.69,-2.75,;27.18,-2.75,;26.75,-4.2,;25.41,-4.94,;25.41,-6.48,;24.09,-4.18,;24.09,-2.64,;25.44,-1.88,;25.44,-.33,;26.79,.42,;26.79,1.95,;28.13,2.73,;25.47,2.74,;22.76,-4.94,;21.41,-4.16,;21.44,-2.62,;20.08,-4.9,;20.06,-6.45,;21.4,-7.24,;21.38,-8.77,;22.73,-6.47,;18.74,-4.13,;17.42,-4.89,;17.41,-6.42,;16.1,-4.12,;16.1,-2.59,;15.64,-1.13,;14.17,-.64,;14.17,.9,;15.65,1.37,;16.26,2.77,;17.81,2.93,;18.71,1.7,;18.07,.28,;16.54,.12,;14.77,-4.87,;13.43,-4.1,;13.43,-2.55,;12.08,-4.86,;12.08,-6.38,;13.4,-7.18,;13.4,-8.72,;14.72,-9.49,;16.07,-8.73,;17.39,-9.51,;16.07,-7.19,;14.75,-6.42,;10.76,-4.07,;9.44,-4.83,;9.41,-6.38,;8.11,-4.06,;8.12,-2.52,;9.44,-1.77,;6.77,-4.81,;5.44,-4.03,;5.45,-2.51,;4.1,-4.8,;4.09,-6.34,;5.42,-7.12,;6.83,-6.5,;7.85,-7.64,;7.06,-8.98,;7.53,-10.44,;6.5,-11.57,;5,-11.24,;4.52,-9.78,;5.57,-8.66,;2.78,-4.03,;1.43,-4.77,;1.45,-6.31,;.08,-4.03,;-1.37,-4.99,;-2.89,-4.2,;-2.98,-2.49,;-4.53,-1.72,;-5.95,-2.65,;-7.46,-1.8,;-5.86,-4.38,;-4.33,-5.15,)|

Structure: