BDBM50456178 CHEMBL4214536

SMILES: CCN(CC)CC.NS(=O)(=O)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O

InChI Key: InChIKey=MRDGXZHXRBPYAV-UHFFFAOYSA-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 = 50456178   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50456178 (CHEMBL4214536) Show SMILES CCN(CC)CC.NS(=O)(=O)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C22H15F3N4O4S/c23-22(24,25)17-5-1-14(2-6-17)20-12-29(28-27-20)18-10-15(9-16(11-18)21(30)31)13-3-7-19(8-4-13)34(26,32)33/h1-12H,(H,30,31)(H2,26,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]-DADLE from human delta opioid receptor expressed in HEK293 cells after 90 mins by scintillation counting method				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair
Purinergic receptor P2Y14 (Homo sapiens (Human))	BDBM50456178 (CHEMBL4214536) Show SMILES CCN(CC)CC.NS(=O)(=O)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C22H15F3N4O4S/c23-22(24,25)17-5-1-14(2-6-17)20-12-29(28-27-20)18-10-15(9-16(11-18)21(30)31)13-3-7-19(8-4-13)34(26,32)33/h1-12H,(H,30,31)(H2,26,32,33)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	608	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of MRS4174 from human P2Y14R expressed in CHO cells preincubated for 30 mins followed by MRS4174 addition measured after 30 mins by flow...				J Med Chem 61: 4860-4882 (2018) Article DOI: 10.1021/acs.jmedchem.8b00168 BindingDB Entry DOI: 10.7270/Q2X069NH
					More data for this Ligand-Target Pair