Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-N-methylacetamido}-N-(2-hydroxyethyl)-3-phenylpropanamide

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PubChem ID

CID: 5462471

SID: 14933805

Canonical SMILES	C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show/Hide
Compound Formula	C26H35N5O6

Compound Structure

Protein Name

Protein Info

Mu-type opioid receptor

Protein Classification

Membrane receptor

Family A G protein-coupled receptor

Peptide receptor (family A GPCR)

Short peptide receptor (family A GPCR)

Opioid receptor

Uniprot ID

P35372

Gene Name

OPRM1

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)	32
1	EC50 = 7.2 nM	TI LI LO TS
2	EC50 = 7.5 nM	TI LI LO TS
3	EC50 = 9.61 nM	TI LI LO TS
4	EC50 = 13.7 nM	TI LI LO TS
5	EC50 = 19.7 nM	TI LI LO TS
6	EC50 = 23 nM	TI LI LO TS
7	EC50 = 25.5 nM	TI LI LO TS
8	EC50 = 30 nM	TI LI LO TS
9	EC50 = 32.6 nM	TI LI LO TS
10	EC50 = 33 nM	TI LI LO TS
11	EC50 = 35.3 nM	TI LI LO TS
12	EC50 = 40 nM	TI LI LO TS
13	EC50 = 45.06 nM	TI LI LO TS
14	EC50 = 45.1 nM	TI LI LO TS
15	EC50 = 55 nM	TI LI LO TS
16	EC50 = 110 nM	TI LI LO TS
17	ED50 = 34 nM	TI LI LO TS
18	ED50 = 42 nM	TI LI LO TS
19	IC50 = 0.43 nM	TI LI LO TS
20	IC50 = 2 nM	TI LI LO TS
21	IC50 = 2.5 nM	TI LI LO TS
22	Ki = 0.45 nM	TI LI LO TS
23	Ki = 0.5 nM	TI LI LO TS
24	Ki = 0.56 nM	TI LI LO TS
25	Ki = 1.2 nM	TI LI LO TS
26	Ki = 1.5 nM	TI LI LO TS
27	Ki = 1.55 nM	TI LI LO TS
28	Ki = 1.59 nM	TI LI LO TS
29	Ki = 2.96 nM	TI LI LO TS
30	Ki = 3.34 nM	TI LI LO TS
31	Ki = 3.715 nM	TI LI LO TS
32	Ki = 6.7 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	8
1	EC50 = 0.3 nM	TI LI LO TS
2	EC50 = 0.6 nM	TI LI LO TS
3	EC50 = 2 nM	TI LI LO TS
4	EC50 = 42 nM	TI LI LO TS
5	EC50 = 44.1 nM	TI LI LO TS
6	EC50 = 199.53 nM	TI LI LO TS
7	IC50 = 20 nM	TI LI LO TS
8	Ki = 8.1 nM	TI LI LO TS
CL000386	Flp-In-CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	Ki = 2187.76 nM	TI LI LO TS
CL000025	HEK-293T Cell Line Info	Homo sapiens (Human)	3
1	IC50 = 0.7943 nM	TI LI LO TS
2	IC50 = 1.95 nM	TI LI LO TS
3	Ki = 2.3 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	16
1	EC50 = 3.04 nM	TI LI LO TS
2	EC50 = 3.18 nM	TI LI LO TS
3	EC50 = 8.2 nM	TI LI LO TS
4	EC50 = 378 nM	TI LI LO TS
5	IC50 = 0.43 nM	TI LI LO TS
6	IC50 = 1.5 nM	TI LI LO TS
7	IC50 = 5 nM	TI LI LO TS
8	IC50 = 5.1 nM	TI LI LO TS
9	IC50 = 19.3 nM	TI LI LO TS
10	Ki = 0.403 nM	TI LI LO TS
11	Ki = 0.41 nM	TI LI LO TS
12	Ki = 0.6 nM	TI LI LO TS
13	Ki = 0.9 nM	TI LI LO TS
14	Ki = 1.259 nM	TI LI LO TS
15	Ki = 1.5 nM	TI LI LO TS
16	Ki = 87.1 nM	TI LI LO TS
CL000050	HEK293-A Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 1 nM	TI LI LO TS

Biochemical Assays

1	EC50 = 202 nM
2	IC50 = 0.68 nM
3	IC50 = 0.74 nM
4	IC50 = 1.6 nM
5	IC50 = 2.5 nM
6	Ki = 0.28 nM
7	Ki = 0.53 nM
8	Ki = 0.9 nM
9	Ki = 1.49 nM
10	Ki = 3.8 nM
11	Ki = 14 nM
12	Ki = 36.7 nM

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About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han