Bioactivity Information | MolBiC

Brief Information of the Compound and Protein

Compound Name

Compound Info

(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazin-2-one

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PubChem ID

CID: 64139

SID: 14850291

Canonical SMILES	FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 Show/Hide
Compound Formula	C14H9ClF3NO2

Compound Structure

Protein Name

Protein Info

Reverse transcriptase/RNaseH

Protein Classification

Enzyme

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Hydrolase

Uniprot ID

Q72547

Gene Name

POL

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000025	HEK-293T Cell Line Info	Homo sapiens (Human)	3
1	IC50 = 6 nM	TI LI LO TS
2	IC50 = 9.5 nM	TI LI LO TS
3	IC50 = 54 nM	TI LI LO TS
CL000247	MT-4 Cell Line Info	Homo sapiens (Human)	23
1	EC50 = 1 nM	TI LI LO TS
2	EC50 = 2.85 nM	TI LI LO TS
3	EC50 = 4 nM	TI LI LO TS
4	EC50 = 5 nM	TI LI LO TS
5	EC50 = 5.19 nM	TI LI LO TS
6	EC50 = 5.2 nM	TI LI LO TS
7	EC50 = 8.2 nM	TI LI LO TS
8	EC50 = 16 nM	TI LI LO TS
9	EC50 = 29 nM	TI LI LO TS
10	EC50 = 38 nM	TI LI LO TS
11	EC50 = 44 nM	TI LI LO TS
12	EC50 = 57 nM	TI LI LO TS
13	EC50 = 80.1 nM	TI LI LO TS
14	EC50 = 115 nM	TI LI LO TS
15	EC50 = 160 nM	TI LI LO TS
16	EC50 = 200 nM	TI LI LO TS
17	EC50 = 224 nM	TI LI LO TS
18	EC50 = 300 nM	TI LI LO TS
19	EC50 = 308 nM	TI LI LO TS
20	EC50 = 348 nM	TI LI LO TS
21	EC50 = 514 nM	TI LI LO TS
22	IC50 = 4 nM	TI LI LO TS
23	IC50 = 6 nM	TI LI LO TS

Biochemical Assays

1	EC50 = 1 nM
2	EC50 = 4 nM
3	EC50 = 5.4 nM
4	EC50 = 44.7 nM
5	EC50 = 91.5 nM
6	EC50 = 156.17 nM
7	IC50 = 0.091 nM
8	IC50 = 0.166 nM
9	IC50 = 0.42 nM
10	IC50 = 0.75 nM
11	IC50 = 1 nM
12	IC50 = 1.3 nM
13	IC50 = 2 nM
14	IC50 = 3 nM
15	IC50 = 4 nM
16	IC50 = 6 nM
17	IC50 = 7 nM
18	IC50 = 7.2 nM
19	IC50 = 8 nM
20	IC50 = 9.503294 nM
21	IC50 = 10 nM
22	IC50 = 11 nM
23	IC50 = 12 nM
24	IC50 = 14 nM
25	IC50 = 17 nM
26	IC50 = 18 nM
27	IC50 = 20 nM
28	IC50 = 22 nM
29	IC50 = 22.174354 nM
30	IC50 = 24 nM
31	IC50 = 30 nM
32	IC50 = 35 nM
33	IC50 = 38 nM
34	IC50 = 40 nM
35	IC50 = 44 nM
36	IC50 = 47 nM
37	IC50 = 48 nM
38	IC50 = 50 nM
39	IC50 = 57 nM
40	IC50 = 61 nM
41	IC50 = 80 nM
42	IC50 = 93 nM
43	IC50 = 120 nM
44	IC50 = 180 nM
45	IC50 = 280 nM
46	IC50 = 360 nM
47	IC50 = 400 nM
48	IC50 = 480 nM
49	IC50 = 500 nM
50	IC50 = 680 nM
51	IC50 = 800 nM
52	IC50 = 1520 nM
53	IC50 = 2100 nM
54	IC50 > 20000 nM
55	IC50 > 100000 nM
56	Ki = 0.4 nM
57	Ki = 2.93 nM
58	Ki = 3 nM
59	Ki = 4 nM
60	Ki = 30 nM
61	Ki = 40 nM
62	Ki = 120 nM
63	Ki = 150 nM
64	Ki = 160 nM