BDBM33857 MLS000708242::SMR000287709::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone::cid_969825

SMILES: COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccco1

InChI Key: InChIKey=IBVNBVQKMBGFOA-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 33857   

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))	BDBM33857 (MLS000708242 | SMR000287709 | [5-amino-3-(2-furany...) Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccco1 Show InChI InChI=1S/C15H14N4O4/c1-21-10-6-5-9(8-12(10)22-2)14(20)19-15(16)17-13(18-19)11-4-3-7-23-11/h3-8H,1-2H3,(H2,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.23E+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
Factor XIIa (Homo sapiens (Human))	BDBM33857 (MLS000708242 | SMR000287709 | [5-amino-3-(2-furany...) Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccco1 Show InChI InChI=1S/C15H14N4O4/c1-21-10-6-5-9(8-12(10)22-2)14(20)19-15(16)17-13(18-19)11-4-3-7-23-11/h3-8H,1-2H3,(H2,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	23.6	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
Coagulation factor XII (Homo sapiens (Human))	BDBM33857 (MLS000708242 | SMR000287709 | [5-amino-3-(2-furany...) Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccco1 Show InChI InChI=1S/C15H14N4O4/c1-21-10-6-5-9(8-12(10)22-2)14(20)19-15(16)17-13(18-19)11-4-3-7-23-11/h3-8H,1-2H3,(H2,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
The University of Akron Curated by ChEMBL					Assay Description Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr by fluorescence assay				Eur J Med Chem 140: 31-41 (2017) Article DOI: 10.1016/j.ejmech.2017.08.056 BindingDB Entry DOI: 10.7270/Q20G3NR9
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM33857 (MLS000708242 | SMR000287709 | [5-amino-3-(2-furany...) Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccco1 Show InChI InChI=1S/C15H14N4O4/c1-21-10-6-5-9(8-12(10)22-2)14(20)19-15(16)17-13(18-19)11-4-3-7-23-11/h3-8H,1-2H3,(H2,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
The University of Akron Curated by ChEMBL					Assay Description Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr in presence of 0.02% Tween20 surfactant by fluorescence assay				Eur J Med Chem 140: 31-41 (2017) Article DOI: 10.1016/j.ejmech.2017.08.056 BindingDB Entry DOI: 10.7270/Q20G3NR9
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM33857 (MLS000708242 | SMR000287709 | [5-amino-3-(2-furany...) Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccco1 Show InChI InChI=1S/C15H14N4O4/c1-21-10-6-5-9(8-12(10)22-2)14(20)19-15(16)17-13(18-19)11-4-3-7-23-11/h3-8H,1-2H3,(H2,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
The University of Akron Curated by ChEMBL					Assay Description Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr in presence of 0.01% Tween20 surfactant by fluorescence assay				Eur J Med Chem 140: 31-41 (2017) Article DOI: 10.1016/j.ejmech.2017.08.056 BindingDB Entry DOI: 10.7270/Q20G3NR9
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM33857 (MLS000708242 | SMR000287709 | [5-amino-3-(2-furany...) Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccco1 Show InChI InChI=1S/C15H14N4O4/c1-21-10-6-5-9(8-12(10)22-2)14(20)19-15(16)17-13(18-19)11-4-3-7-23-11/h3-8H,1-2H3,(H2,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
The University of Akron Curated by ChEMBL					Assay Description Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr in presence of 0% Tween20 surfactant by fluorescence assay				Eur J Med Chem 140: 31-41 (2017) Article DOI: 10.1016/j.ejmech.2017.08.056 BindingDB Entry DOI: 10.7270/Q20G3NR9
					More data for this Ligand-Target Pair