1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
|
select distinct
md.chembl_id chid,
cs.standard_inchi,
md.pref_name molname,
td.chembl_id tchid,
td.pref_name tarname,
pchembl_value pchembl,
organism as organism,
ac.activity_id,
td.target_type
from
ch33.activities ac,
ch33.molecule_dictionary md,
ch33.assays ay,
ch33.target_dictionary td,
ch33.compound_structures cs,
ch33.chembl_id_lookup cl
where
cl.entity_id = cs.molregno and
cl.entity_type = 'COMPOUND' and
ac.molregno = md.molregno and
ac.molregno = cl.entity_id and
ac.assay_id = ay.assay_id and
pchembl_value > 5 and
ac.pchembl_value is not null and td.tid = ay.tid and td.target_type in (
'PROTEIN COMPLEX','SINGLE PROTEIN')
|
