BDBM33448 (5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-phenyl-methanone::MLS000527906::SMR000120480::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-phenylmethanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-phenyl-methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenyl-methanone::cid_828588

SMILES: Nc1nc(nn1C(=O)c1ccccc1)-c1ccco1

InChI Key: InChIKey=IGCDDPNPYAFVCA-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 = 33448   

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))	BDBM33448 ((5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-phenyl-...) Show SMILES Nc1nc(nn1C(=O)c1ccccc1)-c1ccco1 Show InChI InChI=1S/C13H10N4O2/c14-13-15-11(10-7-4-8-19-10)16-17(13)12(18)9-5-2-1-3-6-9/h1-8H,(H2,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	643	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))	BDBM33448 ((5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-phenyl-...) Show SMILES Nc1nc(nn1C(=O)c1ccccc1)-c1ccco1 Show InChI InChI=1S/C13H10N4O2/c14-13-15-11(10-7-4-8-19-10)16-17(13)12(18)9-5-2-1-3-6-9/h1-8H,(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.47E+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/Q2GH9GC8
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM33448 ((5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-phenyl-...) Show SMILES Nc1nc(nn1C(=O)c1ccccc1)-c1ccco1 Show InChI InChI=1S/C13H10N4O2/c14-13-15-11(10-7-4-8-19-10)16-17(13)12(18)9-5-2-1-3-6-9/h1-8H,(H2,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	643	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))	BDBM33448 ((5-Amino-3-furan-2-yl-[1,2,4]triazol-1-yl)-phenyl-...) Show SMILES Nc1nc(nn1C(=O)c1ccccc1)-c1ccco1 Show InChI InChI=1S/C13H10N4O2/c14-13-15-11(10-7-4-8-19-10)16-17(13)12(18)9-5-2-1-3-6-9/h1-8H,(H2,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	926	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