BDBM84210 MLS000119700::N-[2-(2,5-dimethoxyphenyl)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)isonipecotamide::N-[2-(2,5-dimethoxyphenyl)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide::N-[2-(2,5-dimethoxyphenyl)ethyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide::SMR000096621::cid_5307895

SMILES: COc1ccc(OC)c(CCNC(=O)C2CCN(CC2)c2nnc(s2)-n2cccc2)c1

InChI Key: InChIKey=JWVUGDAVVSSDRS-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 = 84210   

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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM84210 (MLS000119700 | N-[2-(2,5-dimethoxyphenyl)ethyl]-1-...) Show SMILES COc1ccc(OC)c(CCNC(=O)C2CCN(CC2)c2nnc(s2)-n2cccc2)c1 Show InChI InChI=1S/C22H27N5O3S/c1-29-18-5-6-19(30-2)17(15-18)7-10-23-20(28)16-8-13-27(14-9-16)22-25-24-21(31-22)26-11-3-4-12-26/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2MC8XM8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM84210 (MLS000119700 | N-[2-(2,5-dimethoxyphenyl)ethyl]-1-...) Show SMILES COc1ccc(OC)c(CCNC(=O)C2CCN(CC2)c2nnc(s2)-n2cccc2)c1 Show InChI InChI=1S/C22H27N5O3S/c1-29-18-5-6-19(30-2)17(15-18)7-10-23-20(28)16-8-13-27(14-9-16)22-25-24-21(31-22)26-11-3-4-12-26/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.85E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2RB734K
					More data for this Ligand-Target Pair