Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470096

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:

BDBM50470096

Synonyms:

CHEMBL2369142

Type:

Small organic molecule

Emp. Form.:

C62H76N14O10

Mol. Mass.:

1177.3546

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)c1cc2ccccc2[nH]1 |wU:45.57,23.28,5.4,wD:57.63,63.79,31.44,12.20,(20.03,-20.2,;19.55,-18.73,;18.05,-18.41,;17.57,-16.95,;18.6,-15.8,;16.06,-16.63,;14.92,-17.66,;13.58,-16.89,;13.9,-15.38,;15.44,-15.22,;16.21,-13.89,;17.75,-13.89,;15.44,-12.55,;13.9,-12.55,;13.13,-11.22,;11.59,-11.22,;10.82,-12.55,;11.59,-13.89,;10.82,-15.22,;13.13,-13.89,;16.21,-11.22,;15.44,-9.89,;13.9,-9.89,;16.21,-8.55,;17.75,-8.55,;18.52,-9.89,;20.06,-9.89,;17.75,-11.22,;15.44,-7.22,;16.21,-5.88,;17.75,-5.88,;15.44,-4.55,;16.21,-3.22,;17.75,-3.22,;18.65,-4.46,;20.12,-3.99,;20.12,-2.45,;21.26,-1.42,;20.94,.09,;19.48,.57,;18.33,-.46,;18.65,-1.97,;13.9,-4.55,;13.13,-5.88,;13.9,-7.22,;11.59,-5.88,;10.82,-4.55,;11.59,-3.22,;13.13,-3.22,;13.9,-1.88,;13.13,-.55,;13.9,.78,;11.59,-.55,;10.82,-1.88,;10.82,-7.22,;9.28,-7.22,;8.51,-5.88,;8.51,-8.55,;9.28,-9.89,;8.51,-11.22,;6.97,-8.55,;6.2,-9.89,;6.97,-11.22,;4.66,-9.89,;3.89,-8.55,;4.66,-7.22,;6.19,-7.06,;6.51,-5.55,;5.17,-4.78,;4.85,-3.27,;3.39,-2.8,;2.25,-3.83,;2.57,-5.34,;4.03,-5.81,;3.89,-11.22,;2.35,-11.22,;1.58,-9.89,;1.58,-12.55,;2.2,-13.96,;1.06,-14.99,;1.06,-16.53,;-.28,-17.3,;-1.61,-16.53,;-1.61,-14.99,;-.28,-14.22,;.04,-12.71,)|

Structure: