Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 405.4 BDBM50440708

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))	BDBM50440708 (CHEMBL2431067) Show SMILES O=C(Nc1cc(no1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r| Show InChI InChI=1S/C21H19N5O2S/c27-21(25-20-11-18(26-28-20)16-6-8-22-9-7-16)19(10-15-4-2-1-3-5-15)24-13-17-12-23-14-29-17/h1-9,11-12,14,19,24H,10,13H2,(H,25,27)/t19-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	263	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...				ACS Med Chem Lett 4: 829-34 (2013) Article DOI: 10.1021/ml4000854 BindingDB Entry DOI: 10.7270/Q2JM2C20
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 142 (Homo sapiens (Human))	BDBM50440708 (CHEMBL2431067) Show SMILES O=C(Nc1cc(no1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r| Show InChI InChI=1S/C21H19N5O2S/c27-21(25-20-11-18(26-28-20)16-6-8-22-9-7-16)19(10-15-4-2-1-3-5-15)24-13-17-12-23-14-29-17/h1-9,11-12,14,19,24H,10,13H2,(H,25,27)/t19-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	306	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...				ACS Med Chem Lett 4: 829-34 (2013) Article DOI: 10.1021/ml4000854 BindingDB Entry DOI: 10.7270/Q2JM2C20
					More data for this Ligand-Target Pair