BDBM33902 3-[(4-tert-butylbenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::MLS001003740::SMR000347588::cid_2314952::methyl 3-[(4-tert-butylbenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate::methyl 3-[(4-tert-butylphenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate

SMILES: COC(=O)c1nnc(NC(=O)c2ccc(cc2)C(C)(C)C)[nH]1

InChI Key: InChIKey=LVKKWCOINMSBPK-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 33902   

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))	BDBM33902 (3-[(4-tert-butylbenzoyl)amino]-1H-1,2,4-triazole-5...) Show SMILES COC(=O)c1nnc(NC(=O)c2ccc(cc2)C(C)(C)C)[nH]1 Show InChI InChI=1S/C15H18N4O3/c1-15(2,3)10-7-5-9(6-8-10)12(20)17-14-16-11(18-19-14)13(21)22-4/h5-8H,1-4H3,(H2,16,17,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.39E+3	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
Hsf1 protein (Mus musculus)	BDBM33902 (3-[(4-tert-butylbenzoyl)amino]-1H-1,2,4-triazole-5...) Show SMILES COC(=O)c1nnc(NC(=O)c2ccc(cc2)C(C)(C)C)[nH]1 Show InChI InChI=1S/C15H18N4O3/c1-15(2,3)10-7-5-9(6-8-10)12(20)17-14-16-11(18-19-14)13(21)22-4/h5-8H,1-4H3,(H2,16,17,18,19,20)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.95E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM33902 (3-[(4-tert-butylbenzoyl)amino]-1H-1,2,4-triazole-5...) Show SMILES COC(=O)c1nnc(NC(=O)c2ccc(cc2)C(C)(C)C)[nH]1 Show InChI InChI=1S/C15H18N4O3/c1-15(2,3)10-7-5-9(6-8-10)12(20)17-14-16-11(18-19-14)13(21)22-4/h5-8H,1-4H3,(H2,16,17,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	10.4	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