Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XII' and Ligand = 'BDBM33601'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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	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
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
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	2.43E+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	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