PDB code 3S71
Identical Ligands in BindingDB
Found 1 hit Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM466724
(US10800761, Example 43 | US11731958, Example 43)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cccnc1C |r| Show InChI InChI=1S/C29H29FN6O3/c1-17-21(5-4-11-32-17)18-8-9-23(25(13-18)36-15-19(31)14-20(36)16-37)35-29(38)24-10-12-33-28(34-24)27-22(30)6-3-7-26(27)39-2/h3-13,19-20,37H,14-16,31H2,1-2H3,(H,35,38)/t19-,20-/m0/s1 | PDB
NCI pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description In vitro inhibition of human carbonic anhydrase II (0.1 nM). |
Citation and Details
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More data for this Ligand-Target Pair | |
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Search BindingMOAD for More Affinity Data:
* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output