BDBM33601 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone::MLS000115582::SMR000092655::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::cid_971668

SMILES: COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1

InChI Key: InChIKey=YLUMVCNEFHTQHD-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 33601   

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))	BDBM33601 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-met...) Show SMILES COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1 Show InChI InChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	486	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))	BDBM33601 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-met...) Show SMILES COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1 Show InChI InChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	503	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
Kallikrein 5 (Homo sapiens (Human))	BDBM33601 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-met...) Show SMILES COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1 Show InChI InChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	713	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
Coagulation factor XII (Homo sapiens (Human))	BDBM33601 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-met...) Show SMILES COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1 Show InChI InChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+3	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
Coagulation factor XII (Homo sapiens (Human))	BDBM33601 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-met...) Show SMILES COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1 Show InChI InChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.63E+3	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))	BDBM33601 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-met...) Show SMILES COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1 Show InChI InChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.43E+3	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))	BDBM33601 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-met...) Show SMILES COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1 Show InChI InChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	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