BDBM51231 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethylbenzimidazole-5-carboxylic acid::2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-benzimidazole-5-carboxylic acid::2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-5-benzimidazolecarboxylic acid::2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-benzimidazole-5-carboxylic acid::MLS000774165::SMR000364979::cid_2123444

SMILES: CCn1c(CSc2nnc(N)[nH]2)nc2cc(ccc12)C(O)=O

InChI Key: InChIKey=IUAXNJRDRINNMZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 51231   

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
BZLF2 (Human herpesvirus 4 type 2)	BDBM51231 (2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-...) Show SMILES CCn1c(CSc2nnc(N)[nH]2)nc2cc(ccc12)C(O)=O Show InChI InChI=1S/C13H14N6O2S/c1-2-19-9-4-3-7(11(20)21)5-8(9)15-10(19)6-22-13-16-12(14)17-18-13/h3-5H,2,6H2,1H3,(H,20,21)(H3,14,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.63E+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: Theodore Jardetzky; Northw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2057DCW
					More data for this Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin (Homo sapiens (Human))	BDBM51231 (2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-...) Show SMILES CCn1c(CSc2nnc(N)[nH]2)nc2cc(ccc12)C(O)=O Show InChI InChI=1S/C13H14N6O2S/c1-2-19-9-4-3-7(11(20)21)5-8(9)15-10(19)6-22-13-16-12(14)17-18-13/h3-5H,2,6H2,1H3,(H,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	8.33E+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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2R49PFB
					More data for this Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin (Homo sapiens (Human))	BDBM51231 (2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-...) Show SMILES CCn1c(CSc2nnc(N)[nH]2)nc2cc(ccc12)C(O)=O Show InChI InChI=1S/C13H14N6O2S/c1-2-19-9-4-3-7(11(20)21)5-8(9)15-10(19)6-22-13-16-12(14)17-18-13/h3-5H,2,6H2,1H3,(H,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	8.92E+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: Harvard Medical School/Massachuset...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2VX0F59
					More data for this Ligand-Target Pair