Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 424.4 BDBM50201578

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
Probable G-protein coupled receptor 142 (Homo sapiens (Human))	BDBM50201578 (CHEMBL3940492) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc(F)c2F)nn1 Show InChI InChI=1S/C21H18F2N6O2/c1-13-9-28(12-24-13)18-7-6-14(8-19(18)31-2)17-10-29(27-26-17)11-20(30)25-16-5-3-4-15(22)21(16)23/h3-10,12H,11H2,1-2H3,(H,25,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	634	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay				ACS Med Chem Lett 7: 1107-1111 (2016) Article DOI: 10.1021/acsmedchemlett.6b00314 BindingDB Entry DOI: 10.7270/Q2ZC84V0
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 142 (Homo sapiens (Human))	BDBM50201578 (CHEMBL3940492) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc(F)c2F)nn1 Show InChI InChI=1S/C21H18F2N6O2/c1-13-9-28(12-24-13)18-7-6-14(8-19(18)31-2)17-10-29(27-26-17)11-20(30)25-16-5-3-4-15(22)21(16)23/h3-10,12H,11H2,1-2H3,(H,25,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay				ACS Med Chem Lett 7: 1107-1111 (2016) Article DOI: 10.1021/acsmedchemlett.6b00314 BindingDB Entry DOI: 10.7270/Q2ZC84V0
					More data for this Ligand-Target Pair