BDBM33454 (5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-(4-methoxy-phenyl)-methanone::MLS000528979::SMR000121454::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone::cid_1084416

SMILES: COc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1

InChI Key: InChIKey=VLVDOLXNKMIANU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 33454   

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
Factor XIIa (Homo sapiens (Human))	BDBM33454 ((5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-(4-meth...) Show SMILES COc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1 Show InChI InChI=1S/C14H12N4O3/c1-20-10-6-4-9(5-7-10)13(19)18-14(15)16-12(17-18)11-3-2-8-21-11/h2-8H,1H3,(H2,15,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.85E+3	n/a	n/a	n/a	n/a	7.4	23
PCMD Curated by PubChem BioAssay					Assay Description HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PV6HQB
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM33454 ((5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-(4-meth...) Show SMILES COc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1 Show InChI InChI=1S/C14H12N4O3/c1-20-10-6-4-9(5-7-10)13(19)18-14(15)16-12(17-18)11-3-2-8-21-11/h2-8H,1H3,(H2,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	943	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))	BDBM33454 ((5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-(4-meth...) Show SMILES COc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1 Show InChI InChI=1S/C14H12N4O3/c1-20-10-6-4-9(5-7-10)13(19)18-14(15)16-12(17-18)11-3-2-8-21-11/h2-8H,1H3,(H2,15,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.85E+3	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
Prothrombin (Homo sapiens (Human))	BDBM33454 ((5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-(4-meth...) Show SMILES COc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1 Show InChI InChI=1S/C14H12N4O3/c1-20-10-6-4-9(5-7-10)13(19)18-14(15)16-12(17-18)11-3-2-8-21-11/h2-8H,1H3,(H2,15,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	828	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