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Assay Detail

CHEMBL3587208

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Binding
Inhibition of Plasmodium falciparum recombinant carbonic anhydrase
ChEMBL ↗
49
Total Activities
49
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Plasmodium falciparum
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545) ↗
Type UNCHECKED

Publication

Computational design and chemometric QSAR modeling of Plasmodium falciparum carbonic anhydrase inhibitors.
Singh S.
Bioorg Med Chem Lett (2014) 25 : 133 -141
PubMed 25466203 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 49 5.75 6.79

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3585563 — — 1 6.79
CHEMBL3585564 — — 1 6.79
CHEMBL3585565 — — 1 6.79
CHEMBL1987209 — — 1 6.75
CHEMBL140791 — — 1 6.72
CHEMBL3585562 — — 1 6.62
CHEMBL3585551 — — 1 6.49
CHEMBL3585556 — — 1 6.37
CHEMBL3585558 — — 1 6.36
CHEMBL3585555 — — 1 6.34
CHEMBL3585554 — — 1 6.33
CHEMBL3585559 — — 1 6.30
CHEMBL3585553 — — 1 6.29
CHEMBL3585557 — — 1 6.29
CHEMBL3585552 — — 1 6.22
CHEMBL3585561 — — 1 6.13
CHEMBL3585550 — — 1 6.12
CHEMBL3585545 — — 1 5.84
CHEMBL3585569 — — 1 5.78
CHEMBL490603 — — 1 5.70
CHEMBL508240 — — 1 5.68
CHEMBL3585560 — — 1 5.65
CHEMBL3585568 — — 1 5.65
CHEMBL3585548 — — 1 5.60
CHEMBL94836 — — 1 5.59
CHEMBL3585570 — — 1 5.58
CHEMBL489790 — — 1 5.52
CHEMBL54235 — — 1 5.51
CHEMBL140452 — — 1 5.51
CHEMBL3585567 — — 1 5.48

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3585563 — Ki = 164.0 nM 6.79
CHEMBL3585565 — Ki = 164.0 nM 6.79
CHEMBL3585564 — Ki = 164.0 nM 6.79
CHEMBL1987209 — Ki = 180.0 nM 6.75
CHEMBL140791 — Ki = 192.0 nM 6.72
CHEMBL3585562 — Ki = 237.0 nM 6.62
CHEMBL3585551 — Ki = 327.0 nM 6.49
CHEMBL3585556 — Ki = 424.0 nM 6.37
CHEMBL3585558 — Ki = 433.0 nM 6.36
CHEMBL3585555 — Ki = 452.0 nM 6.34
CHEMBL3585554 — Ki = 464.0 nM 6.33
CHEMBL3585559 — Ki = 505.0 nM 6.30
CHEMBL3585557 — Ki = 518.0 nM 6.29
CHEMBL3585553 — Ki = 514.0 nM 6.29
CHEMBL3585552 — Ki = 596.0 nM 6.22
CHEMBL3585561 — Ki = 740.0 nM 6.13
CHEMBL3585550 — Ki = 756.0 nM 6.12
CHEMBL3585545 — Ki = 1436.0 nM 5.84
CHEMBL3585569 — Ki = 1653.0 nM 5.78
CHEMBL490603 — Ki = 1992.0 nM 5.70
CHEMBL508240 — Ki = 2102.0 nM 5.68
CHEMBL3585560 — Ki = 2220.0 nM 5.65
CHEMBL3585568 — Ki = 2261.0 nM 5.65
CHEMBL3585548 — Ki = 2519.0 nM 5.60
CHEMBL94836 — Ki = 2583.0 nM 5.59
CHEMBL3585570 — Ki = 2662.0 nM 5.58
CHEMBL489790 — Ki = 2997.0 nM 5.52
CHEMBL54235 — Ki = 3053.0 nM 5.51
CHEMBL140452 — Ki = 3055.0 nM 5.51
CHEMBL3585567 — Ki = 3321.0 nM 5.48
CHEMBL341760 — Ki = 3441.0 nM 5.46
CHEMBL3585547 — Ki = 3506.0 nM 5.46
CHEMBL3585566 — Ki = 4095.0 nM 5.39
CHEMBL479090 — Ki = 4057.0 nM 5.39
CHEMBL3585549 — Ki = 4162.0 nM 5.38
CHEMBL3585571 — Ki = 4278.0 nM 5.37
CHEMBL3585546 — Ki = 4578.0 nM 5.34
CHEMBL3585544 — Ki = 4622.0 nM 5.33
CHEMBL23744 — Ki = 5048.0 nM 5.30
CHEMBL479089 — Ki = 5580.0 nM 5.25
CHEMBL23967 — Ki = 5816.0 nM 5.24
CHEMBL490604 — Ki = 6030.0 nM 5.22
CHEMBL476781 — Ki = 6730.0 nM 5.17
CHEMBL69149 — Ki = 6867.0 nM 5.16
CHEMBL489791 — Ki = 8392.0 nM 5.08
CHEMBL478461 — Ki = 9034.0 nM 5.04
CHEMBL23174 — Ki = 13169.0 nM 4.88
CHEMBL523796 — Ki = 16517.0 nM 4.78
CHEMBL479087 — Ki = 18507.0 nM 4.73