Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 481.5 BDBM622425

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

Found 2 hits 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
LIM domain kinase 2 (Homo sapiens (Human))	BDBM622425 (US20230312576, Compound 82) Show SMILES COc1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C5CC5)c34)c2)c1 |c:19| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		20.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM622425 (US20230312576, Compound 82) Show SMILES COc1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C5CC5)c34)c2)c1 |c:19| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		47.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair