Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470098

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.010±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:

BDBM50470098

Synonyms:

CHEMBL2371296

Type:

Small organic molecule

Emp. Form.:

C60H77FN12O11

Mol. Mass.:

1161.3256

SMILES:

CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)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:55.60,43.54,12.20,wD:31.41,23.28,5.4,61.64,(-4.86,4.47,;-3.76,3.4,;-4.14,1.91,;-3.04,.83,;-1.56,1.25,;-3.42,-.66,;-4.85,-1.23,;-4.76,-2.77,;-3.26,-3.15,;-2.44,-1.85,;-.9,-1.75,;-.22,-.37,;-.05,-3.03,;-.73,-4.41,;-2.27,-4.51,;-2.95,-5.89,;-4.49,-5.99,;-5.17,-7.37,;-6.71,-7.47,;-4.32,-8.65,;1.49,-2.93,;2.34,-4.21,;1.66,-5.59,;3.88,-4.12,;4.56,-2.74,;3.71,-1.45,;2.17,-1.55,;4.39,-.07,;4.73,-5.4,;6.27,-5.3,;6.95,-3.92,;7.12,-6.58,;6.44,-7.96,;4.9,-8.06,;4.05,-6.78,;2.51,-6.88,;1.83,-8.26,;.29,-8.35,;2.68,-9.54,;4.22,-9.44,;8.66,-6.48,;9.51,-7.76,;8.83,-9.14,;11.05,-7.66,;11.73,-6.28,;10.88,-5,;11.56,-3.62,;10.71,-2.34,;9.17,-2.44,;8.32,-1.16,;8.49,-3.82,;9.34,-5.1,;11.9,-8.95,;13.44,-8.85,;14.12,-7.47,;14.29,-10.13,;13.61,-11.51,;12.07,-11.61,;15.83,-10.03,;16.69,-11.31,;16,-12.69,;18.22,-11.21,;19.08,-12.5,;20.61,-12.4,;21.6,-13.58,;23.03,-13.01,;22.93,-11.48,;24,-10.37,;23.59,-8.89,;22.1,-8.51,;21.02,-9.61,;21.44,-11.1,;18.91,-9.83,;18.05,-8.55,;16.51,-8.65,;18.73,-7.17,;17.88,-5.89,;18.56,-4.51,;17.71,-3.23,;18.39,-1.85,;19.93,-1.75,;20.61,-.37,;20.78,-3.03,;20.1,-4.41,)|

Structure: