BDBM47101 2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]ethanamide::2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide::2-[(1-ethyl-2-keto-4-quinolyl)thio]-N-[3-[4-(2-fluorophenyl)piperazino]propyl]acetamide::2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide::2-[(1-ethyl-2-oxo-4-quinolinyl)thio]-N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]acetamide::MLS000092499::SMR000028049::cid_3242312

SMILES: CCn1c2ccccc2c(SCC(=O)NCCCN2CCN(CC2)c2ccccc2F)cc1=O

InChI Key: InChIKey=AUNYTVRZCBFVRC-UHFFFAOYSA-N

Data: 1 IC50  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 3 hits for monomerid = 47101   

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
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM47101 (2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-...) Show SMILES CCn1c2ccccc2c(SCC(=O)NCCCN2CCN(CC2)c2ccccc2F)cc1=O Show InChI InChI=1S/C26H31FN4O2S/c1-2-31-22-10-5-3-8-20(22)24(18-26(31)33)34-19-25(32)28-12-7-13-29-14-16-30(17-15-29)23-11-6-4-9-21(23)27/h3-6,8-11,18H,2,7,12-17,19H2,1H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A) (Mus musculus (Mouse))	BDBM47101 (2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-...) Show SMILES CCn1c2ccccc2c(SCC(=O)NCCCN2CCN(CC2)c2ccccc2F)cc1=O Show InChI InChI=1S/C26H31FN4O2S/c1-2-31-22-10-5-3-8-20(22)24(18-26(31)33)34-19-25(32)28-12-7-13-29-14-16-30(17-15-29)23-11-6-4-9-21(23)27/h3-6,8-11,18H,2,7,12-17,19H2,1H3,(H,28,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.61E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q24B2ZZ6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM47101 (2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-...) Show SMILES CCn1c2ccccc2c(SCC(=O)NCCCN2CCN(CC2)c2ccccc2F)cc1=O Show InChI InChI=1S/C26H31FN4O2S/c1-2-31-22-10-5-3-8-20(22)24(18-26(31)33)34-19-25(32)28-12-7-13-29-14-16-30(17-15-29)23-11-6-4-9-21(23)27/h3-6,8-11,18H,2,7,12-17,19H2,1H3,(H,28,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2833QNG
					More data for this Ligand-Target Pair