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Assay Detail

CHEMBL2025934

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Binding
Inhibition of human CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method
28
Total Activities
28
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Carbonic anhydrase 1 (CHEMBL261)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Dithiocarbamates strongly inhibit carbonic anhydrases and show antiglaucoma action in vivo.
Carta F, Aggarwal M, Maresca A, Scozzafava A, McKenna R, Masini E, Supuran CT.
J Med Chem (2012) 55 : 1721 -1730
PubMed 22276570 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 28 7.71 9.06

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2023727 MORPHOLINECARBAMODITHIOATE SODIUM SALT 1 9.06
CHEMBL2021946 1 9.02
CHEMBL2023719 DIISOBUTYLCARBODITHIOIC ACID SODIUM SALT 1 9.01
CHEMBL2023730 1 8.60
CHEMBL2023169 1 8.46
CHEMBL2023171 1 8.41
CHEMBL2023168 SODIUM BENZYLCARBAMODITHIOATE 1 8.39
CHEMBL2023170 1 8.35
CHEMBL2023163 POTASSIUM MORPHOLINOCARBAMODITHIOATE 1 8.32
CHEMBL2023162 TRIETHYLAMMONIUM PHENYLCARBAMODITHIOATE 1 8.32
CHEMBL2023718 1 8.07
CHEMBL2023724 1 8.04
CHEMBL2023728 PIPERAZINECARBAMODITHIOATE DISODIUM SALT 1 7.90
CHEMBL2023172 1 7.88
CHEMBL2023165 1 7.68
CHEMBL2023166 1 7.50
CHEMBL2023167 1 7.50
CHEMBL2023164 1 7.47
CHEMBL2023725 SODIUM METHYL(PHENYL)CARBAMODITHIOATE 1 7.40
CHEMBL2023721 DIBUTYLCARBAMODITHIOATE SODIUM SALT 1 7.37
CHEMBL2023722 DIHEXYLCARBAMODITHIOATE SODIUM SALT 1 7.32
CHEMBL2023729 1 7.32
CHEMBL2023726 SODIUM BENZYL(METHYL)CARBAMODITHIOATE 1 7.16
CHEMBL2023723 ETHYLBUTYLCARBAMODITHIOATE SODIUM SALT 1 6.80
CHEMBL20 ACETAZOLAMIDE 4.0 1 6.60
CHEMBL569460 SODIUM DIMETHYLCARBAMODITHIOATE 1 6.16
CHEMBL107217 DITIOCARB SODIUM 2.0 1 6.10
CHEMBL2023720 DIPROPYLCARBAMODITHIOATE SODIUM SALT 1 5.74

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2023727 MORPHOLINECARBAMODITHIOATE SODIUM SALT Ki = 0.88 nM 9.06
CHEMBL2021946 Ki = 0.96 nM 9.02
CHEMBL2023719 DIISOBUTYLCARBODITHIOIC ACID SODIUM SALT Ki = 0.97 nM 9.01
CHEMBL2023730 Ki = 2.5 nM 8.60
CHEMBL2023169 Ki = 3.5 nM 8.46
CHEMBL2023171 Ki = 3.9 nM 8.41
CHEMBL2023168 SODIUM BENZYLCARBAMODITHIOATE Ki = 4.1 nM 8.39
CHEMBL2023170 Ki = 4.5 nM 8.35
CHEMBL2023163 POTASSIUM MORPHOLINOCARBAMODITHIOATE Ki = 4.8 nM 8.32
CHEMBL2023162 TRIETHYLAMMONIUM PHENYLCARBAMODITHIOATE Ki = 4.8 nM 8.32
CHEMBL2023718 Ki = 8.6 nM 8.07
CHEMBL2023724 Ki = 9.2 nM 8.04
CHEMBL2023728 PIPERAZINECARBAMODITHIOATE DISODIUM SALT Ki = 12.6 nM 7.90
CHEMBL2023172 Ki = 13.1 nM 7.88
CHEMBL2023165 Ki = 21.1 nM 7.68
CHEMBL2023166 Ki = 31.8 nM 7.50
CHEMBL2023167 Ki = 31.9 nM 7.50
CHEMBL2023164 Ki = 33.5 nM 7.47
CHEMBL2023725 SODIUM METHYL(PHENYL)CARBAMODITHIOATE Ki = 39.6 nM 7.40
CHEMBL2023721 DIBUTYLCARBAMODITHIOATE SODIUM SALT Ki = 43.1 nM 7.37
CHEMBL2023722 DIHEXYLCARBAMODITHIOATE SODIUM SALT Ki = 48.0 nM 7.32
CHEMBL2023729 Ki = 48.4 nM 7.32
CHEMBL2023726 SODIUM BENZYL(METHYL)CARBAMODITHIOATE Ki = 69.9 nM 7.16
CHEMBL2023723 ETHYLBUTYLCARBAMODITHIOATE SODIUM SALT Ki = 157.0 nM 6.80
CHEMBL20 ACETAZOLAMIDE Ki = 250.0 nM 6.60
CHEMBL569460 SODIUM DIMETHYLCARBAMODITHIOATE Ki = 699.0 nM 6.16
CHEMBL107217 DITIOCARB SODIUM Ki = 790.0 nM 6.10
CHEMBL2023720 DIPROPYLCARBAMODITHIOATE SODIUM SALT Ki = 1838.0 nM 5.74