BDBM33697 2-[[5-(m-toluoylamino)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester::2-[[5-[[(3-methylphenyl)-oxomethyl]amino]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester::MLS000327834::SMR000180809::cid_4271676::ethyl 2-({3-[(3-methylbenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate::ethyl 2-[[5-[(3-methylbenzoyl)amino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate::ethyl 2-[[5-[(3-methylphenyl)carbonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

SMILES: CCOC(=O)CSc1nnc(NC(=O)c2cccc(C)c2)[nH]1

InChI Key: InChIKey=CSZFJKLNCKEZQL-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 = 33697   

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
Prothrombin (Homo sapiens (Human))	BDBM33697 (2-[[5-(m-toluoylamino)-1H-1,2,4-triazol-3-yl]thio]...) Show SMILES CCOC(=O)CSc1nnc(NC(=O)c2cccc(C)c2)[nH]1 Show InChI InChI=1S/C14H16N4O3S/c1-3-21-11(19)8-22-14-16-13(17-18-14)15-12(20)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	586	n/a	n/a	n/a	n/a	7.5	23
PCMD Curated by PubChem BioAssay					Assay Description HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K64GDN
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM33697 (2-[[5-(m-toluoylamino)-1H-1,2,4-triazol-3-yl]thio]...) Show SMILES CCOC(=O)CSc1nnc(NC(=O)c2cccc(C)c2)[nH]1 Show InChI InChI=1S/C14H16N4O3S/c1-3-21-11(19)8-22-14-16-13(17-18-14)15-12(20)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GH9GC8
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM33697 (2-[[5-(m-toluoylamino)-1H-1,2,4-triazol-3-yl]thio]...) Show SMILES CCOC(=O)CSc1nnc(NC(=O)c2cccc(C)c2)[nH]1 Show InChI InChI=1S/C14H16N4O3S/c1-3-21-11(19)8-22-14-16-13(17-18-14)15-12(20)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	965	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21G0JQS
					More data for this Ligand-Target Pair