Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1260.3 BDBM50575117

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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
High mobility group protein B1 (Homo sapiens (Human))	BDBM50575117 (CHEMBL4853693) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 6His-tagged HMGB1 (unknown origin) incubated for 15 mins by MST analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00852 BindingDB Entry DOI: 10.7270/Q2JW8JP5
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