Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 39' and Ligand = 'BDBM50443616'   

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
G-protein coupled receptor 39 (Homo sapiens (Human))	BDBM50443616 (CHEMBL3092413) Show SMILES Clc1ccc2nc(CN3CCN(CC3)c3ccc(cn3)C#N)cn2c1 Show InChI InChI=1S/C18H17ClN6/c19-15-2-4-18-22-16(13-25(18)11-15)12-23-5-7-24(8-6-23)17-3-1-14(9-20)10-21-17/h1-4,10-11,13H,5-8,12H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at GPR39 in human HT-29 cells assessed as increase in intracellular Ca2+ mobilization after 72 hrs by FLIPR assay				ACS Med Chem Lett 4: 1079-84 (2013) Article DOI: 10.1021/ml400275z BindingDB Entry DOI: 10.7270/Q2B27WS4
					More data for this Ligand-Target Pair
G-protein coupled receptor 39 (Homo sapiens (Human))	BDBM50443616 (CHEMBL3092413) Show SMILES Clc1ccc2nc(CN3CCN(CC3)c3ccc(cn3)C#N)cn2c1 Show InChI InChI=1S/C18H17ClN6/c19-15-2-4-18-22-16(13-25(18)11-15)12-23-5-7-24(8-6-23)17-3-1-14(9-20)10-21-17/h1-4,10-11,13H,5-8,12H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.25E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128607 BindingDB Entry DOI: 10.7270/Q2WW7NQK
					More data for this Ligand-Target Pair
G-protein coupled receptor 39 (Homo sapiens (Human))	BDBM50443616 (CHEMBL3092413) Show SMILES Clc1ccc2nc(CN3CCN(CC3)c3ccc(cn3)C#N)cn2c1 Show InChI InChI=1S/C18H17ClN6/c19-15-2-4-18-22-16(13-25(18)11-15)12-23-5-7-24(8-6-23)17-3-1-14(9-20)10-21-17/h1-4,10-11,13H,5-8,12H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human GPR39 expressed in CHO-K1 cells assessed as increase of Zn2+-induced intracellular Ca+2 mobilization after 1 hr...				ACS Med Chem Lett 4: 1079-84 (2013) Article DOI: 10.1021/ml400275z BindingDB Entry DOI: 10.7270/Q2B27WS4
					More data for this Ligand-Target Pair
G-protein coupled receptor 39 (Homo sapiens (Human))	BDBM50443616 (CHEMBL3092413) Show SMILES Clc1ccc2nc(CN3CCN(CC3)c3ccc(cn3)C#N)cn2c1 Show InChI InChI=1S/C18H17ClN6/c19-15-2-4-18-22-16(13-25(18)11-15)12-23-5-7-24(8-6-23)17-3-1-14(9-20)10-21-17/h1-4,10-11,13H,5-8,12H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human GPR39 expressed in CHO-K1 cells assessed as increase of Zn2+-induced cAMP production preincubated for 30 mins m...				ACS Med Chem Lett 4: 1079-84 (2013) Article DOI: 10.1021/ml400275z BindingDB Entry DOI: 10.7270/Q2B27WS4
					More data for this Ligand-Target Pair