Ki Summary

Reaction Details

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Target

Parathyroid hormone/parathyroid hormone-related peptide receptor

Ligand

BDBM50600479

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2234293 (CHEMBL5148065)

IC50

40±n/a nM

Citation

Arai, Y; Kiyotsuka, Y; Nagamochi, M; Oyama, K; Izumi, M Lead optimization of pyrido[2,3-d][1]benzazepin-6-one derivatives leading to the discovery of a potent, selective, and orally available human parathyroid hormone receptor 1 (hPTHR1) antagonist (DS69910557). Bioorg Med Chem64:0 (2022) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Parathyroid hormone/parathyroid hormone-related peptide receptor

Name:

Parathyroid hormone/parathyroid hormone-related peptide receptor

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

66370.95

Organism:

Homo sapiens (Human)

Description:

PARATHYROID HT1 0 HUMAN::Q03431

Residue:

593

Sequence:

MGTARIAPGLALLLCCPVLSSAYALVDADDVMTKEEQIFLLHRAQAQCEKRLKEVLQRPA
SIMESDKGWTSASTSGKPRKDKASGKLYPESEEDKEAPTGSRYRGRPCLPEWDHILCWPL
GAPGEVVAVPCPDYIYDFNHKGHAYRRCDRNGSWELVPGHNRTWANYSECVKFLTNETRE
REVFDRLGMIYTVGYSVSLASLTVAVLILAYFRRLHCTRNYIHMHLFLSFMLRAVSIFVK
DAVLYSGATLDEAERLTEEELRAIAQAPPPPATAAAGYAGCRVAVTFFLYFLATNYYWIL
VEGLYLHSLIFMAFFSEKKYLWGFTVFGWGLPAVFVAVWVSVRATLANTGCWDLSSGNKK
WIIQVPILASIVLNFILFINIVRVLATKLRETNAGRCDTRQQYRKLLKSTLVLMPLFGVH
YIVFMATPYTEVSGTLWQVQMHYEMLFNSFQGFFVAIIYCFCNGEVQAEIKKSWSRWTLA
LDFKRKARSGSSSYSYGPMVSHTSVTNVGPRVGLGLPLSPRLLPTATTNGHPQLPGHAKP
GTPALETLETTPPAMAAPKDDGFLNGSCSGLDEEASGPERPPALLQEEWETVM

BDBM50600479

n/a

Name

BDBM50600479

Synonyms:

CHEMBL5171680

Type

Small organic molecule

Emp. Form.

C32H34Cl2N4O3

Mol. Mass.

593.543

SMILES

CC1(C)c2ncc(Cl)cc2-c2ccc(Cl)cc2N(c2ccc(cc2)N2CC(CN[C@H]3CC[C@H](CC3)C(O)=O)C2)C1=O |r,wU:29.31,32.38,(3.5,-4,;2.01,-3.61,;3.1,-2.52,;1.35,-5,;2.4,-6.12,;1.96,-7.6,;.46,-7.96,;.06,-9.45,;-.6,-6.84,;-.16,-5.35,;-1.38,-4.39,;-2.7,-5.16,;-4.04,-4.4,;-4.04,-2.85,;-5.37,-2.08,;-2.71,-2.08,;-1.38,-2.85,;-.18,-1.89,;-.58,-.4,;-2.06,0,;-2.46,1.48,;-1.37,2.57,;.11,2.18,;.52,.7,;-1.77,4.06,;-1,5.4,;-2.36,6.18,;-2.75,7.67,;-1.67,8.75,;-.18,8.36,;.91,9.45,;2.4,9.05,;2.8,7.56,;1.71,6.47,;.22,6.87,;4.28,7.16,;5.37,8.25,;4.68,5.67,;-3.13,4.84,;1.32,-2.21,;2.41,-1.13,)|

Structure