Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

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PubChem ID

CID: 25085173

SID: 14768628

Canonical SMILES	CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show/Hide
Compound Formula	C69H108N22O16S

Compound Structure

Protein Name

Protein Info

Apelin receptor

Protein Classification

Membrane receptor

Family A G protein-coupled receptor

Peptide receptor (family A GPCR)

Short peptide receptor (family A GPCR)

Neuropeptide receptor

Uniprot ID

P35414

Gene Name

APLNR

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	4
1	EC50 = 0.3 nM	TI LI LO TS
2	EC50 = 0.42 nM	TI LI LO TS
3	EC50 = 2 nM	TI LI LO TS
4	EC50 = 3.11 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	3
1	EC50 = 1 nM	TI LI LO TS
2	EC50 = 18 nM	TI LI LO TS
3	Ki = 1 nM	TI LI LO TS
CL000025	HEK-293T Cell Line Info	Homo sapiens (Human)	2
1	EC50 = 0.05 nM	TI LI LO TS
2	EC50 = 54 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	14
1	EC50 = 0.0122 nM	TI LI LO TS
2	EC50 = 0.047 nM	TI LI LO TS
3	EC50 = 0.05 nM	TI LI LO TS
4	EC50 = 0.84 nM	TI LI LO TS
5	EC50 = 1.1 nM	TI LI LO TS
6	EC50 = 1.4 nM	TI LI LO TS
7	EC50 = 5.9 nM	TI LI LO TS
8	EC50 = 24 nM	TI LI LO TS
9	EC50 = 26 nM	TI LI LO TS
10	EC50 = 29 nM	TI LI LO TS
11	EC50 = 60 nM	TI LI LO TS
12	IC50 = 1.2 nM	TI LI LO TS
13	Ki = 0.7 nM	TI LI LO TS
14	Ki = 1 nM	TI LI LO TS

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About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han