BDBM31368 2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-methyl-quinazolin-4-one::2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one::2-[[2-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-oxoethyl]thio]-3-methyl-4-quinazolinone::2-[[2-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-keto-ethyl]thio]-3-methyl-quinazolin-4-one::MLS001004091::SMR000377696::cid_5258493

SMILES: Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1CC1CCCO1

InChI Key: InChIKey=OVQREBPMLKCTJO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 31368   

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
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM31368 (2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-y...) Show SMILES Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1CC1CCCO1 Show InChI InChI=1S/C22H25N3O3S/c1-14-11-18(15(2)25(14)12-16-7-6-10-28-16)20(26)13-29-22-23-19-9-5-4-8-17(19)21(27)24(22)3/h4-5,8-9,11,16H,6-7,10,12-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description The CHO cell line was cultured in T-175 flasks at 37 degrees C and 95% relative humidity (RH). The growth media consisted of Dulbecco's Modified ...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FQ9TZS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM31368 (2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-y...) Show SMILES Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1CC1CCCO1 Show InChI InChI=1S/C22H25N3O3S/c1-14-11-18(15(2)25(14)12-16-7-6-10-28-16)20(26)13-29-22-23-19-9-5-4-8-17(19)21(27)24(22)3/h4-5,8-9,11,16H,6-7,10,12-13H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q228061X
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM31368 (2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-y...) Show SMILES Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1CC1CCCO1 Show InChI InChI=1S/C22H25N3O3S/c1-14-11-18(15(2)25(14)12-16-7-6-10-28-16)20(26)13-29-22-23-19-9-5-4-8-17(19)21(27)24(22)3/h4-5,8-9,11,16H,6-7,10,12-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2V1235Z
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM31368 (2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-y...) Show SMILES Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1CC1CCCO1 Show InChI InChI=1S/C22H25N3O3S/c1-14-11-18(15(2)25(14)12-16-7-6-10-28-16)20(26)13-29-22-23-19-9-5-4-8-17(19)21(27)24(22)3/h4-5,8-9,11,16H,6-7,10,12-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	<3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2ZS2TWK
					More data for this Ligand-Target Pair