BDBM36974 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone::2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethanone::2-[(3,5-dimethylisoxazol-4-yl)methylthio]-1-[4-(2,3-dimethylphenyl)piperazino]ethanone::MLS000053719::SMR000064422::US10544110, Compound 1::cid_2537506

SMILES: Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C

InChI Key: InChIKey=UOYXGXJBTVISCR-UHFFFAOYSA-N

Data: 5 IC50  5 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 10 hits for monomerid = 36974   

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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36974 (2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...) Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	4.41E+3	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 Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36974 (2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...) Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	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 Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25X2795
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36974 (2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...) Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	4.52E+3	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 Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2251GJ9
					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM36974 (2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...) Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.12E+3	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 Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q26Q1VNZ
					More data for this Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM36974 (2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...) Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in human C4-2-PSA-rl cells incubated for 24 hrs in presence of androgen R1881 by dual-glo luciferase reporte...				ACS Med Chem Lett 7: 785-90 (2016) Article DOI: 10.1021/acsmedchemlett.6b00186
					More data for this Ligand-Target Pair
STAT3 (Homo sapiens (Human))	BDBM36974 (2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...) Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.56E+3	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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
					More data for this Ligand-Target Pair
Transcription Factor STAT1 (Homo sapiens (Human))	BDBM36974 (2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...) Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.57E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K935ZR
					More data for this Ligand-Target Pair
Hsf1 protein (Mus musculus)	BDBM36974 (2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...) Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.43E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK
					More data for this Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM36974 (2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...) Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description The biological activity of analogs 5-16, 18, 20, 26, JJ-450, and the resolved enantiomers JJ-450A and J-450B was determined and compared to HTS hit 1...				US Patent US10544110 (2020) BindingDB Entry DOI: 10.7270/Q24Q7XCV
					More data for this Ligand-Target Pair
Steroidogenic Factor 1 (Homo sapiens (Human))	BDBM36974 (2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...) Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3	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	876	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 Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2319T8T
					More data for this Ligand-Target Pair