Target ID: CHEMBL2938
Organism: Homo sapiens
Type: SINGLE PROTEIN
Name | SMILES | Bioactivity | Structure |
---|---|---|---|
RUBOXISTAURIN | CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1 | IC50: 300.0 nM | ![]() |
BMS-387032 | CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 | IC50: 48000.0 nM | ![]() |
MLN-8054 | O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1 | Activity: 39.7 % | ![]() |
DORAMAPIMOD | Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 | Kd: 0.046 nM | ![]() |
SMILES | Avg pKi | Count | Structure |
---|---|---|---|
[5*]N[5*] | 7.33 | 117 | ![]() |
[4*]C[8*] | 5.42 | 78 | ![]() |
[8*]C(C)(C)C | 7.33 | 78 | ![]() |
[5*]N(C)C | 6.52 | 39 | ![]() |
O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCOCCn1cc2c2ccccc21 | 6.52 | 39 | ![]() |