Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 499.5 BDBM50594446

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
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50594446 (CHEMBL5169325) Show SMILES CO[C@@H]1CCCC[C@H]1n1cc(CNC(=O)c2cc(NC(=O)C=C)cc(c2)-c2n[nH]c3ccccc23)nn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50594446 (CHEMBL5169325) Show SMILES CO[C@@H]1CCCC[C@H]1n1cc(CNC(=O)c2cc(NC(=O)C=C)cc(c2)-c2n[nH]c3ccccc23)nn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair