BDBM33581 1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-(4-methoxyphenyl)ethanone::1-(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-(4-methoxyphenyl)ethanone::1-[(4-methoxyphenyl)acetyl]-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::1-[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone::1-[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone::MLS000064365::SMR000076607::cid_970094

SMILES: COc1ccc(CC(=O)n2nc(nc2N)-c2cccnc2)cc1

InChI Key: InChIKey=GTLWZDWHNMMHMP-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 = 33581   

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))	BDBM33581 (1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-(4...) Show SMILES COc1ccc(CC(=O)n2nc(nc2N)-c2cccnc2)cc1 Show InChI InChI=1S/C16H15N5O2/c1-23-13-6-4-11(5-7-13)9-14(22)21-16(17)19-15(20-21)12-3-2-8-18-10-12/h2-8,10H,9H2,1H3,(H2,17,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	259	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
Factor XIIa (Homo sapiens (Human))	BDBM33581 (1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-(4...) Show SMILES COc1ccc(CC(=O)n2nc(nc2N)-c2cccnc2)cc1 Show InChI InChI=1S/C16H15N5O2/c1-23-13-6-4-11(5-7-13)9-14(22)21-16(17)19-15(20-21)12-3-2-8-18-10-12/h2-8,10H,9H2,1H3,(H2,17,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	937	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
Factor XIIa (Homo sapiens (Human))	BDBM33581 (1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-(4...) Show SMILES COc1ccc(CC(=O)n2nc(nc2N)-c2cccnc2)cc1 Show InChI InChI=1S/C16H15N5O2/c1-23-13-6-4-11(5-7-13)9-14(22)21-16(17)19-15(20-21)12-3-2-8-18-10-12/h2-8,10H,9H2,1H3,(H2,17,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	937	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/Q2BC3WZZ
					More data for this Ligand-Target Pair