BDBM50517829 CHEMBL4542579

SMILES: O=C(Nc1cccs1)c1cn2cc(ccc2n1)-c1ccccn1

InChI Key: InChIKey=OKGJKWKAMCUKIN-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 = 50517829   

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
Nuclear receptor subfamily 4 group A member 2 (Homo sapiens (Human))	BDBM50517829 (CHEMBL4542579) Show SMILES O=C(Nc1cccs1)c1cn2cc(ccc2n1)-c1ccccn1 Show InChI InChI=1S/C17H12N4OS/c22-17(20-16-5-3-9-23-16)14-11-21-10-12(6-7-15(21)19-14)13-4-1-2-8-18-13/h1-11H,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay				Bioorg Med Chem Lett 29: 929-932 (2019) Article DOI: 10.1016/j.bmcl.2019.01.024
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2 (Mus musculus)	BDBM50517829 (CHEMBL4542579) Show SMILES O=C(Nc1cccs1)c1cn2cc(ccc2n1)-c1ccccn1 Show InChI InChI=1S/C17H12N4OS/c22-17(20-16-5-3-9-23-16)14-11-21-10-12(6-7-15(21)19-14)13-4-1-2-8-18-13/h1-11H,(H,20,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Agonist activity at Nurr1 in mouse N2A cells harboring NBRE by luciferase reporter gene assay				Bioorg Med Chem Lett 29: 929-932 (2019) Article DOI: 10.1016/j.bmcl.2019.01.024
					More data for this Ligand-Target Pair