BDBM50030779 CHEMBL3342374

SMILES: CNc1nc(NCc2ccc(OC(F)(F)F)cc2)cc(n1)-c1ccccn1

InChI Key: InChIKey=HBGKDBCDSIVHMS-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50030779   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
G-protein coupled receptor 39 (Mus musculus)	BDBM50030779 (CHEMBL3342374) Show SMILES CNc1nc(NCc2ccc(OC(F)(F)F)cc2)cc(n1)-c1ccccn1 Show InChI InChI=1S/C18H16F3N5O/c1-22-17-25-15(14-4-2-3-9-23-14)10-16(26-17)24-11-12-5-7-13(8-6-12)27-18(19,20)21/h2-10H,11H2,1H3,(H2,22,24,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at mouse GPR39 expressed in HEK293 cells by IP1 assay				ACS Med Chem Lett 5: 1114-8 (2014) Article DOI: 10.1021/ml500240d BindingDB Entry DOI: 10.7270/Q2MC91MW
					More data for this Ligand-Target Pair
G-protein coupled receptor 39 (Homo sapiens (Human))	BDBM50030779 (CHEMBL3342374) Show SMILES CNc1nc(NCc2ccc(OC(F)(F)F)cc2)cc(n1)-c1ccccn1 Show InChI InChI=1S/C18H16F3N5O/c1-22-17-25-15(14-4-2-3-9-23-14)10-16(26-17)24-11-12-5-7-13(8-6-12)27-18(19,20)21/h2-10H,11H2,1H3,(H2,22,24,25,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at human GPR39 expressed in HEK293 cells by IP1 assay				ACS Med Chem Lett 5: 1114-8 (2014) Article DOI: 10.1021/ml500240d BindingDB Entry DOI: 10.7270/Q2MC91MW
					More data for this Ligand-Target Pair