Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 431.4 BDBM50589148

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
Cytochrome c oxidase subunit 2 (Homo sapiens (Human))	BDBM50589148 (CHEMBL5187847) Show SMILES COc1ccc(cc1)-c1nc(N2N=C(CCC2=O)c2ccc(F)cc2)n(C)c(=O)c1C#N |c:13| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.112946 BindingDB Entry DOI: 10.7270/Q2WW7NNP
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 1 (Homo sapiens (Human))	BDBM50589148 (CHEMBL5187847) Show SMILES COc1ccc(cc1)-c1nc(N2N=C(CCC2=O)c2ccc(F)cc2)n(C)c(=O)c1C#N |c:13| 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	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.112946 BindingDB Entry DOI: 10.7270/Q2WW7NNP
					More data for this Ligand-Target Pair