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Assay Detail

CHEMBL3267975

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Binding
Inhibition of Clostridium botulinum recombinant BoNT/A light chain using N-terminal acetylated, C-terminal aminated SNAP-25 (187-203) as substrate by reverse-phase HPLC analysis
ChEMBL ↗
47
Total Activities
40
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Clostridium botulinum
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Botulinum neurotoxin type A (CHEMBL5192) ↗
Type SINGLE PROTEIN
Organism Clostridium botulinum

Publication

Second generation steroidal 4-aminoquinolines are potent, dual-target inhibitors of the botulinum neurotoxin serotype A metalloprotease and P. falciparum malaria.
Videnović M, Opsenica DM, Burnett JC, Gomba L, Nuss JE, Selaković Z, Konstantinović J, Krstić M, Segan S, Zlatović M, Sciotti RJ, Bavari S, Solaja BA.
J Med Chem (2014) 57 : 4134 -4153
PubMed 24742203 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 31 5.58 6.82
Ki 16 6.07 7.11

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3112881 — — 2 7.11
CHEMBL3264512 — — 1 6.99
CHEMBL3264509 — — 1 6.77
CHEMBL3264511 — — 1 6.54
CHEMBL2037386 — — 1 6.52
CHEMBL3264513 — — 1 6.52
CHEMBL3264510 — — 1 6.52
CHEMBL3264508 — — 1 6.47
CHEMBL3259867 — — 1 6.41
CHEMBL237370 CINNAMIC ACID HYDROXAMATE — 2 6.34
CHEMBL3264507 — — 1 6.20
CHEMBL3264499 — — 2 6.09
CHEMBL3264497 — — 1 5.99
CHEMBL3264500 — — 2 5.98
CHEMBL3264502 — — 1 5.95
CHEMBL3264501 — — 1 5.94
CHEMBL3264504 — — 1 5.89
CHEMBL3264498 — — 1 5.87
CHEMBL3264503 — — 1 5.64
CHEMBL3264171 — — 2 5.64
CHEMBL3264179 — — 1 5.63
CHEMBL3264184 — — 1 5.61
CHEMBL3216444 — — 1 5.58
CHEMBL3264505 — — 1 5.52
CHEMBL3264189 — — 1 5.49
CHEMBL3264187 — — 1 5.49
CHEMBL450398 — — 2 5.42
CHEMBL3264183 — — 2 5.35
CHEMBL3264174 — — 1 5.33
CHEMBL3264185 — — 1 5.31

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3112881 — Ki = 77.0 nM 7.11
CHEMBL3264512 — Ki = 103.0 nM 6.99
CHEMBL3112881 — IC50 = 150.0 nM 6.82
CHEMBL3264509 — Ki = 171.0 nM 6.77
CHEMBL3264511 — Ki = 285.0 nM 6.54
CHEMBL3264513 — Ki = 300.0 nM 6.52
CHEMBL3264510 — Ki = 300.0 nM 6.52
CHEMBL2037386 — Ki = 302.0 nM 6.52
CHEMBL3264508 — Ki = 341.0 nM 6.47
CHEMBL3259867 — Ki = 389.0 nM 6.41
CHEMBL237370 CINNAMIC ACID HYDROXAMATE Ki = 460.0 nM 6.34
CHEMBL3264507 — IC50 = 630.0 nM 6.20
CHEMBL237370 CINNAMIC ACID HYDROXAMATE IC50 = 670.0 nM 6.17
CHEMBL3264499 — IC50 = 810.0 nM 6.09
CHEMBL3264497 — IC50 = 1020.0 nM 5.99
CHEMBL3264500 — IC50 = 1040.0 nM 5.98
CHEMBL3264502 — IC50 = 1130.0 nM 5.95
CHEMBL3264501 — IC50 = 1140.0 nM 5.94
CHEMBL3264504 — IC50 = 1290.0 nM 5.89
CHEMBL3264498 — IC50 = 1340.0 nM 5.87
CHEMBL3264171 — IC50 = 2280.0 nM 5.64
CHEMBL3264503 — IC50 = 2270.0 nM 5.64
CHEMBL3264179 — IC50 = 2320.0 nM 5.63
CHEMBL3264184 — IC50 = 2460.0 nM 5.61
CHEMBL3216444 — IC50 = 2620.0 nM 5.58
CHEMBL3264505 — IC50 = 3050.0 nM 5.52
CHEMBL3264189 — IC50 = 3240.0 nM 5.49
CHEMBL3264187 — IC50 = 3250.0 nM 5.49
CHEMBL3264499 — Ki = 3220.0 nM 5.49
CHEMBL3264500 — Ki = 3450.0 nM 5.46
CHEMBL450398 — IC50 = 3800.0 nM 5.42
CHEMBL3264183 — IC50 = 4480.0 nM 5.35
CHEMBL3264174 — IC50 = 4680.0 nM 5.33
CHEMBL3264185 — IC50 = 4920.0 nM 5.31
CHEMBL3264188 — IC50 = 4900.0 nM 5.31
CHEMBL3264186 — IC50 = 5090.0 nM 5.29
CHEMBL3264175 — IC50 = 5180.0 nM 5.29
CHEMBL3264171 — Ki = 5670.0 nM 5.25
CHEMBL3264178 — IC50 = 5700.0 nM 5.24
CHEMBL3264496 — IC50 = 6620.0 nM 5.18
CHEMBL3264192 — IC50 = 6780.0 nM 5.17
CHEMBL450398 — Ki = 6990.0 nM 5.16
CHEMBL3264183 — Ki = 7690.0 nM 5.11
CHEMBL3264191 — IC50 = 8210.0 nM 5.09
CHEMBL3264170 — IC50 = 11810.0 nM 4.93
CHEMBL3264190 — IC50 = 24970.0 nM 4.60
CHEMBL3264182 — Ki = 34510.0 nM 4.46