BDBM50443399 CHEMBL3086822

SMILES: Cc1c(n2ccccc2[n+]1C\C=C\c1ccc(C)cc1)P(=S)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=VRHOSJNWKGMUTA-VAWYXSNFSA-N

Data: 2 IC50

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 = 50443399   

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
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50443399 (CHEMBL3086822) Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1ccc(C)cc1)P(=S)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H28N2PS/c1-24-18-20-26(21-19-24)12-11-23-31-25(2)30(32-22-10-9-17-29(31)32)33(34,27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-22H,23H2,1-2H3/q+1/b12-11+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as cAMP level after 30 mins by phosphate-buffered sal...				J Med Chem 56: 9045-56 (2013) Article DOI: 10.1021/jm400904m BindingDB Entry DOI: 10.7270/Q2NG4S3Q
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50443399 (CHEMBL3086822) Show SMILES Cc1c(n2ccccc2[n+]1C\C=C\c1ccc(C)cc1)P(=S)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H28N2PS/c1-24-18-20-26(21-19-24)12-11-23-31-25(2)30(32-22-10-9-17-29(31)32)33(34,27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-22H,23H2,1-2H3/q+1/b12-11+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization aft...				J Med Chem 56: 9045-56 (2013) Article DOI: 10.1021/jm400904m BindingDB Entry DOI: 10.7270/Q2NG4S3Q
					More data for this Ligand-Target Pair