BDBM40251 2-(4-fluoroanilino)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one::2-(4-fluoroanilino)-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-pyrimidin-4-one::2-(4-fluoroanilino)-6-[[(1-phenyltetrazol-5-yl)thio]methyl]-1H-pyrimidin-4-one::2-[(4-fluorophenyl)amino]-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one::2-[(4-fluorophenyl)amino]-6-{[(1-phenyl-1H-tetrazol-5-yl)thio]methyl}-4(3H)-pyrimidinone::MLS000530885::SMR000135863::cid_1214378

SMILES: Fc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1

InChI Key: InChIKey=SZCZQRMTFOINOL-UHFFFAOYSA-N

Data: 3 IC50  1 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 = 40251   

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
Estrogen receptor (Homo sapiens (Human))	BDBM40251 (2-(4-fluoroanilino)-6-[(1-phenyltetrazol-5-yl)sulf...) Show SMILES Fc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1 Show InChI InChI=1S/C18H14FN7OS/c19-12-6-8-13(9-7-12)20-17-21-14(10-16(27)22-17)11-28-18-23-24-25-26(18)15-4-2-1-3-5-15/h1-10H,11H2,(H2,20,21,22,27)	PDB 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
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM40251 (2-(4-fluoroanilino)-6-[(1-phenyltetrazol-5-yl)sulf...) Show SMILES Fc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1 Show InChI InChI=1S/C18H14FN7OS/c19-12-6-8-13(9-7-12)20-17-21-14(10-16(27)22-17)11-28-18-23-24-25-26(18)15-4-2-1-3-5-15/h1-10H,11H2,(H2,20,21,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.47E+3	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, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2BP0175
					More data for this Ligand-Target Pair
SUMO-conjugating enzyme UBC9 (Homo sapiens (Human))	BDBM40251 (2-(4-fluoroanilino)-6-[(1-phenyltetrazol-5-yl)sulf...) Show SMILES Fc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1 Show InChI InChI=1S/C18H14FN7OS/c19-12-6-8-13(9-7-12)20-17-21-14(10-16(27)22-17)11-28-18-23-24-25-26(18)15-4-2-1-3-5-15/h1-10H,11H2,(H2,20,21,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.15E+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, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2V986G8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM40251 (2-(4-fluoroanilino)-6-[(1-phenyltetrazol-5-yl)sulf...) Show SMILES Fc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1 Show InChI InChI=1S/C18H14FN7OS/c19-12-6-8-13(9-7-12)20-17-21-14(10-16(27)22-17)11-28-18-23-24-25-26(18)15-4-2-1-3-5-15/h1-10H,11H2,(H2,20,21,22,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2F47MJ9
					More data for this Ligand-Target Pair