BDBM37375 2-[(4-amino-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide::2-[(4-amino-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]-N-(2-furanylmethyl)acetamide::2-[(4-amino-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-(2-furfuryl)acetamide::2-[(4-azanyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)ethanamide::MLS000078256::SMR000041299::cid_660429

SMILES: CC1CCc2c(C1)sc1nc(SCC(=O)NCc3ccco3)nc(N)c21

InChI Key: InChIKey=WZEUPCWHMOQZLM-UHFFFAOYSA-N

Data: 1 IC50  3 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 4 hits for monomerid = 37375   

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 3 (Homo sapiens (Human))	BDBM37375 (2-[(4-amino-7-methyl-5,6,7,8-tetrahydro-[1]benzoth...) Show SMILES CC1CCc2c(C1)sc1nc(SCC(=O)NCc3ccco3)nc(N)c21 Show InChI InChI=1S/C18H20N4O2S2/c1-10-4-5-12-13(7-10)26-17-15(12)16(19)21-18(22-17)25-9-14(23)20-8-11-3-2-6-24-11/h2-3,6,10H,4-5,7-9H2,1H3,(H,20,23)(H2,19,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.33E+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 Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2XD102D
					More data for this Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1 (Homo sapiens (Human))	BDBM37375 (2-[(4-amino-7-methyl-5,6,7,8-tetrahydro-[1]benzoth...) Show SMILES CC1CCc2c(C1)sc1nc(SCC(=O)NCc3ccco3)nc(N)c21 Show InChI InChI=1S/C18H20N4O2S2/c1-10-4-5-12-13(7-10)26-17-15(12)16(19)21-18(22-17)25-9-14(23)20-8-11-3-2-6-24-11/h2-3,6,10H,4-5,7-9H2,1H3,(H,20,23)(H2,19,21,22)	PDB MMDB 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	>7.94E+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 (2008) BindingDB Entry DOI: 10.7270/Q2FT8JGV
					More data for this Ligand-Target Pair
NCOA2 protein (Homo sapiens (Human))	BDBM37375 (2-[(4-amino-7-methyl-5,6,7,8-tetrahydro-[1]benzoth...) Show SMILES CC1CCc2c(C1)sc1nc(SCC(=O)NCc3ccco3)nc(N)c21 Show InChI InChI=1S/C18H20N4O2S2/c1-10-4-5-12-13(7-10)26-17-15(12)16(19)21-18(22-17)25-9-14(23)20-8-11-3-2-6-24-11/h2-3,6,10H,4-5,7-9H2,1H3,(H,20,23)(H2,19,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>7.94E+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 (2008) BindingDB Entry DOI: 10.7270/Q2QZ28CS
					More data for this Ligand-Target Pair
nuclear receptor coactivator 3 isoform a (Homo sapiens (Human))	BDBM37375 (2-[(4-amino-7-methyl-5,6,7,8-tetrahydro-[1]benzoth...) Show SMILES CC1CCc2c(C1)sc1nc(SCC(=O)NCc3ccco3)nc(N)c21 Show InChI InChI=1S/C18H20N4O2S2/c1-10-4-5-12-13(7-10)26-17-15(12)16(19)21-18(22-17)25-9-14(23)20-8-11-3-2-6-24-11/h2-3,6,10H,4-5,7-9H2,1H3,(H,20,23)(H2,19,21,22)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>7.94E+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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2707ZV7
					More data for this Ligand-Target Pair