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Assay Detail

CHEMBL641280

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Binding
Binding affinity against Adipocyte lipid binding protein
4
Total Activities
4
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Fatty acid-binding protein, adipocyte (CHEMBL2083)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water.
Cozzini P, Fornabaio M, Marabotti A, Abraham DJ, Kellogg GE, Mozzarelli A.
J Med Chem (2002) 45 : 2469 -2483
PubMed 12036355 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 4 4.79 6.75

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL15594 ARACHIDONIC ACID -1.0 1 6.75
CHEMBL460657 ELAIDIC ACID 1 4.24
CHEMBL46403 STEARIC ACID -1.0 1 4.10
CHEMBL82293 PALMITIC ACID -1.0 1 4.08

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL15594 ARACHIDONIC ACID Kd = 180.0 nM 6.75
CHEMBL460657 ELAIDIC ACID Kd = 58000.0 nM 4.24
CHEMBL46403 STEARIC ACID Kd = 80000.0 nM 4.10
CHEMBL82293 PALMITIC ACID Kd = 83000.0 nM 4.08