BDBM50354075 CHEMBL1836314

SMILES: O=S(=O)(NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1)c1cccc2ccccc12

InChI Key: InChIKey=KSPCSLLIKPNJLI-XUTJKUGGSA-N

Data: 1 KI  1 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 = 50354075   

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 Y receptor type 5 ( NPY Y5) (Homo sapiens (Human))	BDBM50354075 (CHEMBL1836314) Show SMILES O=S(=O)(NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1)c1cccc2ccccc12 |r,wU:5.4,wD:8.11,(6.06,-16.55,;4.52,-16.53,;5.31,-15.2,;3.19,-15.74,;3.21,-14.19,;1.88,-13.4,;.53,-14.15,;-.79,-13.37,;-.77,-11.83,;.57,-11.06,;1.9,-11.85,;-2.1,-11.04,;-3.45,-11.8,;-4.81,-11.18,;-5.82,-12.29,;-5.08,-13.59,;-5.7,-15.07,;-7.21,-15.46,;-8.42,-14.52,;-8.46,-12.92,;-9.85,-12.4,;-10.1,-10.94,;-8.95,-9.99,;-7.55,-10.51,;-7.31,-11.97,;-3.62,-13.29,;4.5,-18.07,;5.82,-18.85,;5.81,-20.39,;4.46,-21.16,;3.13,-20.36,;1.79,-21.11,;.47,-20.34,;.49,-18.79,;1.83,-18.04,;3.15,-18.82,)| Show InChI InChI=1S/C28H29N3O2S3/c32-36(33,26-11-5-7-20-6-1-2-8-22(20)26)29-18-19-12-14-21(15-13-19)30-28-31-27-23-9-3-4-10-24(23)34-17-16-25(27)35-28/h1-11,19,21,29H,12-18H2,(H,30,31)/t19-,21-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 21: 5436-41 (2011) Article DOI: 10.1016/j.bmcl.2011.06.124 BindingDB Entry DOI: 10.7270/Q2RN387K
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5) (Homo sapiens (Human))	BDBM50354075 (CHEMBL1836314) Show SMILES O=S(=O)(NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1)c1cccc2ccccc12 |r,wU:5.4,wD:8.11,(6.06,-16.55,;4.52,-16.53,;5.31,-15.2,;3.19,-15.74,;3.21,-14.19,;1.88,-13.4,;.53,-14.15,;-.79,-13.37,;-.77,-11.83,;.57,-11.06,;1.9,-11.85,;-2.1,-11.04,;-3.45,-11.8,;-4.81,-11.18,;-5.82,-12.29,;-5.08,-13.59,;-5.7,-15.07,;-7.21,-15.46,;-8.42,-14.52,;-8.46,-12.92,;-9.85,-12.4,;-10.1,-10.94,;-8.95,-9.99,;-7.55,-10.51,;-7.31,-11.97,;-3.62,-13.29,;4.5,-18.07,;5.82,-18.85,;5.81,-20.39,;4.46,-21.16,;3.13,-20.36,;1.79,-21.11,;.47,-20.34,;.49,-18.79,;1.83,-18.04,;3.15,-18.82,)| Show InChI InChI=1S/C28H29N3O2S3/c32-36(33,26-11-5-7-20-6-1-2-8-22(20)26)29-18-19-12-14-21(15-13-19)30-28-31-27-23-9-3-4-10-24(23)34-17-16-25(27)35-28/h1-11,19,21,29H,12-18H2,(H,30,31)/t19-,21-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43.6	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 21: 5436-41 (2011) Article DOI: 10.1016/j.bmcl.2011.06.124 BindingDB Entry DOI: 10.7270/Q2RN387K
					More data for this Ligand-Target Pair