BDBM40219 3-(4-methylphenyl)-4-[[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione::4-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3-(p-tolyl)-1H-1,2,4-triazole-5-thione::4-[[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3-(p-tolyl)-1H-1,2,4-triazole-5-thione::5-(4-methylphenyl)-4-{[3-(2-nitrophenyl)-2-propen-1-ylidene]amino}-4H-1,2,4-triazole-3-thiol::MLS000534016::SMR000141452::cid_1960170

SMILES: Cc1ccc(cc1)-c1n[nH]c(=S)n1[N-]C=C[CH+]c1ccccc1[N+]([O-])=O

InChI Key: InChIKey=DHOLMHFYXLBMEV-UHFFFAOYSA-N

Data: 2 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 7 hits for monomerid = 40219   

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))	BDBM40219 (3-(4-methylphenyl)-4-[[(Z)-3-(2-nitrophenyl)prop-2...) Show SMILES Cc1ccc(cc1)-c1n[nH]c(=S)n1[N-]C=C[CH+]c1ccccc1[N+]([O-])=O |w:14.15| Show InChI InChI=1S/C18H15N5O2S/c1-13-8-10-15(11-9-13)17-20-21-18(26)22(17)19-12-4-6-14-5-2-3-7-16(14)23(24)25/h2-12H,1H3,(H,21,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.32E+3	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
Estrogen receptor (Homo sapiens (Human))	BDBM40219 (3-(4-methylphenyl)-4-[[(Z)-3-(2-nitrophenyl)prop-2...) Show SMILES Cc1ccc(cc1)-c1n[nH]c(=S)n1[N-]C=C[CH+]c1ccccc1[N+]([O-])=O |w:14.15| Show InChI InChI=1S/C18H15N5O2S/c1-13-8-10-15(11-9-13)17-20-21-18(26)22(17)19-12-4-6-14-5-2-3-7-16(14)23(24)25/h2-12H,1H3,(H,21,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.52E+3	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
nuclear receptor subfamily 4, group A, member 1 (Homo sapiens (Human))	BDBM40219 (3-(4-methylphenyl)-4-[[(Z)-3-(2-nitrophenyl)prop-2...) Show SMILES Cc1ccc(cc1)-c1n[nH]c(=S)n1[N-]C=C[CH+]c1ccccc1[N+]([O-])=O |w:14.15| Show InChI InChI=1S/C18H15N5O2S/c1-13-8-10-15(11-9-13)17-20-21-18(26)22(17)19-12-4-6-14-5-2-3-7-16(14)23(24)25/h2-12H,1H3,(H,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q29C6VTK
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM40219 (3-(4-methylphenyl)-4-[[(Z)-3-(2-nitrophenyl)prop-2...) Show SMILES Cc1ccc(cc1)-c1n[nH]c(=S)n1[N-]C=C[CH+]c1ccccc1[N+]([O-])=O |w:14.15| Show InChI InChI=1S/C18H15N5O2S/c1-13-8-10-15(11-9-13)17-20-21-18(26)22(17)19-12-4-6-14-5-2-3-7-16(14)23(24)25/h2-12H,1H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2M32T6M
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM40219 (3-(4-methylphenyl)-4-[[(Z)-3-(2-nitrophenyl)prop-2...) Show SMILES Cc1ccc(cc1)-c1n[nH]c(=S)n1[N-]C=C[CH+]c1ccccc1[N+]([O-])=O |w:14.15| Show InChI InChI=1S/C18H15N5O2S/c1-13-8-10-15(11-9-13)17-20-21-18(26)22(17)19-12-4-6-14-5-2-3-7-16(14)23(24)25/h2-12H,1H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	807	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q23B5XKP
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM40219 (3-(4-methylphenyl)-4-[[(Z)-3-(2-nitrophenyl)prop-2...) Show SMILES Cc1ccc(cc1)-c1n[nH]c(=S)n1[N-]C=C[CH+]c1ccccc1[N+]([O-])=O |w:14.15| Show InChI InChI=1S/C18H15N5O2S/c1-13-8-10-15(11-9-13)17-20-21-18(26)22(17)19-12-4-6-14-5-2-3-7-16(14)23(24)25/h2-12H,1H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TX3CSC
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM40219 (3-(4-methylphenyl)-4-[[(Z)-3-(2-nitrophenyl)prop-2...) Show SMILES Cc1ccc(cc1)-c1n[nH]c(=S)n1[N-]C=C[CH+]c1ccccc1[N+]([O-])=O |w:14.15| Show InChI InChI=1S/C18H15N5O2S/c1-13-8-10-15(11-9-13)17-20-21-18(26)22(17)19-12-4-6-14-5-2-3-7-16(14)23(24)25/h2-12H,1H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Q52N1X
					More data for this Ligand-Target Pair