Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 423.3 BDBM50558171

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

Found 5 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
Probable G-protein coupled receptor 142 (Homo sapiens (Human))	BDBM50558171 (CHEMBL4790150) Show SMILES FC(F)(F)c1cccc(Nc2nnc3-c4cc(ccc4OCCn23)-c2ccncc2)c1 Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human GPR142 expressed in CHO cells measured for 3 mins by Fluo-4M dye based FLIPR assay				Citation and Details Article DOI: 10.1016/j.bmcl.2016.04.018 BindingDB Entry DOI: 10.7270/Q2HM5D44
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50558171 (CHEMBL4790150) Show SMILES FC(F)(F)c1cccc(Nc2nnc3-c4cc(ccc4OCCn23)-c2ccncc2)c1 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	516	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver microsomes CYP3A4 using testosterone as substrate by MUX-MS/MS analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2016.04.018 BindingDB Entry DOI: 10.7270/Q2HM5D44
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50558171 (CHEMBL4790150) Show SMILES FC(F)(F)c1cccc(Nc2nnc3-c4cc(ccc4OCCn23)-c2ccncc2)c1 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	531	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver microsomes CYP2C9 using diclofenac as substrate by MUX-MS/MS analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2016.04.018 BindingDB Entry DOI: 10.7270/Q2HM5D44
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50558171 (CHEMBL4790150) Show SMILES FC(F)(F)c1cccc(Nc2nnc3-c4cc(ccc4OCCn23)-c2ccncc2)c1 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	557	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG expressed in HEK293 cells assessed as reduction in S35-MK-0499 binding				Citation and Details Article DOI: 10.1016/j.bmcl.2016.04.018 BindingDB Entry DOI: 10.7270/Q2HM5D44
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50558171 (CHEMBL4790150) Show SMILES FC(F)(F)c1cccc(Nc2nnc3-c4cc(ccc4OCCn23)-c2ccncc2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	782	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver microsomes CYP2D6 using dextromethorphan as substrate by MUX-MS/MS analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2016.04.018 BindingDB Entry DOI: 10.7270/Q2HM5D44
					More data for this Ligand-Target Pair