BDBM52011 4-cyclohexyl-3-(2-thienyl)-1H-1,2,4-triazole-5-thione::4-cyclohexyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione::4-cyclohexyl-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione::MLS000858937::SMR000459016::cid_2816425

SMILES: S=c1[nH]nc(-c2cccs2)n1C1CCCCC1

InChI Key: InChIKey=AOXGLLSRMBLBSO-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 52011   

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
Beta lactamase (Pseudomonas aeruginosa)	BDBM52011 (4-cyclohexyl-3-(2-thienyl)-1H-1,2,4-triazole-5-thi...) Show SMILES S=c1[nH]nc(-c2cccs2)n1C1CCCCC1 Show InChI InChI=1S/C12H15N3S2/c16-12-14-13-11(10-7-4-8-17-10)15(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,14,16)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.69E+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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2X63KBQ
					More data for this Ligand-Target Pair
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa)	BDBM52011 (4-cyclohexyl-3-(2-thienyl)-1H-1,2,4-triazole-5-thi...) Show SMILES S=c1[nH]nc(-c2cccs2)n1C1CCCCC1 Show InChI InChI=1S/C12H15N3S2/c16-12-14-13-11(10-7-4-8-17-10)15(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,14,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+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/Q2SF2TM0
					More data for this Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human))	BDBM52011 (4-cyclohexyl-3-(2-thienyl)-1H-1,2,4-triazole-5-thi...) Show SMILES S=c1[nH]nc(-c2cccs2)n1C1CCCCC1 Show InChI InChI=1S/C12H15N3S2/c16-12-14-13-11(10-7-4-8-17-10)15(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,14,16)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	25
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 (2011) BindingDB Entry DOI: 10.7270/Q2CZ35ND
					More data for this Ligand-Target Pair
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa)	BDBM52011 (4-cyclohexyl-3-(2-thienyl)-1H-1,2,4-triazole-5-thi...) Show SMILES S=c1[nH]nc(-c2cccs2)n1C1CCCCC1 Show InChI InChI=1S/C12H15N3S2/c16-12-14-13-11(10-7-4-8-17-10)15(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,14,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+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/Q2J101MD
					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM52011 (4-cyclohexyl-3-(2-thienyl)-1H-1,2,4-triazole-5-thi...) Show SMILES S=c1[nH]nc(-c2cccs2)n1C1CCCCC1 Show InChI InChI=1S/C12H15N3S2/c16-12-14-13-11(10-7-4-8-17-10)15(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.59E+3	n/a	n/a	n/a	n/a	n/a	25
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 (2011) BindingDB Entry DOI: 10.7270/Q2HQ3XD6
					More data for this Ligand-Target Pair
Beta lactamase (Pseudomonas aeruginosa)	BDBM52011 (4-cyclohexyl-3-(2-thienyl)-1H-1,2,4-triazole-5-thi...) Show SMILES S=c1[nH]nc(-c2cccs2)n1C1CCCCC1 Show InChI InChI=1S/C12H15N3S2/c16-12-14-13-11(10-7-4-8-17-10)15(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,14,16)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.31E+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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NS0S90
					More data for this Ligand-Target Pair