Compile Data Set for Download or QSAR

Found 1122 hits Enz. Inhib. hit(s) with Target = 'Factor XIIa'   

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
Factor XIIa (Homo sapiens (Human))	BDBM22741 (1-(3,4-dimethylphenyl)-2-phenylethane-1,2-dione | ...) Show SMILES Cc1ccc(cc1C)C(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C16H14O2/c1-11-8-9-14(10-12(11)2)16(18)15(17)13-6-4-3-5-7-13/h3-10H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	4.10	-47.9	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22850 (1,2-Dione-Based Compound, 7 | 1,2-dicyclohexyletha...) Show SMILES O=C(C1CCCCC1)C(=O)C1CCCCC1 Show InChI InChI=1S/C14H22O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-12H,1-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	5	-47.4	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22759 (1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-...) Show SMILES O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H14O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	5.60	-47.1	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22859 (1,2-Dione-Based Compound, 16 | 1,2-dihydroaceanthr...) Show SMILES O=c1c2cccc3cc4ccccc4c(c23)c1=O Show InChI InChI=1S/C16H8O2/c17-15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(13(10)12)16(15)18/h1-8H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	7.70	-46.3	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22748 (1-(4-methyl-3-nitrophenyl)-2-phenylethane-1,2-dion...) Show SMILES Cc1ccc(cc1[N+]([O-])=O)C(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C15H11NO4/c1-10-7-8-12(9-13(10)16(19)20)15(18)14(17)11-5-3-2-4-6-11/h2-9H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	7.90	-46.2	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22745 (1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1...) Show SMILES COc1ccc(cc1OC)C(=O)C(=O)c1ccccc1Cl Show InChI InChI=1S/C16H13ClO4/c1-20-13-8-7-10(9-14(13)21-2)15(18)16(19)11-5-3-4-6-12(11)17/h3-9H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	8.90	-46.0	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22742 (1-(4-methoxyphenyl)-2-phenylethane-1,2-dione | Ben...) Show SMILES COc1ccc(cc1)C(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C15H12O3/c1-18-13-9-7-12(8-10-13)15(17)14(16)11-5-3-2-4-6-11/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	10.3	-45.6	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22722 (1,2-diphenylethane-1,2-dione | Benzil | CHEMBL1898...) Show SMILES O=C(C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14.7	-44.7	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22722 (1,2-diphenylethane-1,2-dione | Benzil | CHEMBL1898...) Show SMILES O=C(C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14.7	-44.7	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22737 (1-(4-chlorophenyl)-2-phenylethane-1,2-dione | Benz...) Show SMILES Clc1ccc(cc1)C(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C14H9ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	18.2	-44.2	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22746 (1-[4-(bromomethyl)phenyl]-2-phenylethane-1,2-dione...) Show SMILES BrCc1ccc(cc1)C(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C15H11BrO2/c16-10-11-6-8-13(9-7-11)15(18)14(17)12-4-2-1-3-5-12/h1-9H,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	21.3	-43.8	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22738 (1-(4-chlorophenyl)-2-(4-methylphenyl)ethane-1,2-di...) Show SMILES Cc1ccc(cc1)C(=O)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H11ClO2/c1-10-2-4-11(5-3-10)14(17)15(18)12-6-8-13(16)9-7-12/h2-9H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	22.8	-43.6	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22734 (1,2-bis(3,5-difluorophenyl)ethane-1,2-dione | Benz...) Show SMILES Fc1cc(F)cc(c1)C(=O)C(=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C14H6F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23.4	-43.6	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22749 (1-(4-nitrophenyl)-2-phenylethane-1,2-dione | Benzi...) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C14H9NO4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	30.6	-42.9	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22795 (1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...) Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10ClNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	32	-42.8	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22739 (1-(4-methylphenyl)-2-phenylethane-1,2-dione | Benz...) Show SMILES Cc1ccc(cc1)C(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C15H12O2/c1-11-7-9-13(10-8-11)15(17)14(16)12-5-3-2-4-6-12/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	33.3	-42.7	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22804 (1-{[(2-bromophenyl)amino]methyl}-2,3-dihydro-1H-in...) Show SMILES Brc1ccccc1NCN1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C15H11BrN2O2/c16-11-6-2-3-7-12(11)17-9-18-13-8-4-1-5-10(13)14(19)15(18)20/h1-8,17H,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	47	-41.8	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22857 (1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...) Show SMILES O=C1C(=O)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	52	-41.6	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22740 (1,2-bis(4-methylphenyl)ethane-1,2-dione | Benzil-b...) Show SMILES Cc1ccc(cc1)C(=O)C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C16H14O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	60.4	-41.2	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22796 (1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-indo...) Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl Show InChI InChI=1S/C15H9Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1-7H,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	67	-40.9	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22743 (1,2-bis(4-methoxyphenyl)ethane-1,2-dione | Benzil-...) Show SMILES COc1ccc(cc1)C(=O)C(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	70.2	-40.8	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22743 (1,2-bis(4-methoxyphenyl)ethane-1,2-dione | Benzil-...) Show SMILES COc1ccc(cc1)C(=O)C(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	70.2	-40.8	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22736 (4-(2-oxo-2-phenylacetyl)benzoic acid | Benzil-base...) Show SMILES OC(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C15H10O4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	71.5	-40.8	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22731 (1,2-bis(4-chlorophenyl)ethane-1,2-dione | Benzil-b...) Show SMILES Clc1ccc(cc1)C(=O)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C14H8Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	106	-39.8	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22858 (1,2-Dione-Based Compound, 15 | 2-nitro-9,10-dihydr...) Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21 Show InChI InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	107	-39.8	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22802 (1-[(naphthalen-2-ylamino)methyl]-2,3-dihydro-1H-in...) Show SMILES O=C1N(CNc2ccc3ccccc3c2)c2ccccc2C1=O Show InChI InChI=1S/C19H14N2O2/c22-18-16-7-3-4-8-17(16)21(19(18)23)12-20-15-10-9-13-5-1-2-6-14(13)11-15/h1-11,20H,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	-39.7	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22744 (1,2-bis(3-methoxyphenyl)ethane-1,2-dione | Benzil-...) Show SMILES COc1cccc(c1)C(=O)C(=O)c1cccc(OC)c1 Show InChI InChI=1S/C16H14O4/c1-19-13-7-3-5-11(9-13)15(17)16(18)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	139	-39.1	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22730 (1,2-bis(4-fluorophenyl)ethane-1,2-dione | Benzil-b...) Show SMILES Fc1ccc(cc1)C(=O)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C14H8F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	167	-38.7	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22853 (1,2-Dione-Based Compound, 10 | 1,2-dihydroacenapht...) Show SMILES O=c1c2cccc3cccc(c23)c1=O Show InChI InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	170	-38.6	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22805 (1-{[(4-bromophenyl)amino]methyl}-2,3-dihydro-1H-in...) Show SMILES Brc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H11BrN2O2/c16-10-5-7-11(8-6-10)17-9-18-13-4-2-1-3-12(13)14(19)15(18)20/h1-8,17H,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	170	-38.6	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22803 (1-{[(4-chlorophenyl)amino]methyl}-2,3-dihydro-1H-i...) Show SMILES Clc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H11ClN2O2/c16-10-5-7-11(8-6-10)17-9-18-13-4-2-1-3-12(13)14(19)15(18)20/h1-8,17H,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	200	-38.2	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22750 (1-(2,4-dinitrophenyl)-2-phenylethane-1,2-dione | B...) Show SMILES [O-][N+](=O)c1ccc(C(=O)C(=O)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H8N2O6/c17-13(9-4-2-1-3-5-9)14(18)11-7-6-10(15(19)20)8-12(11)16(21)22/h1-8H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	209	-38.1	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22735 (1,2-bis(3,4,5-trifluorophenyl)ethane-1,2-dione | B...) Show SMILES Fc1cc(cc(F)c1F)C(=O)C(=O)c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C14H4F6O2/c15-7-1-5(2-8(16)11(7)19)13(21)14(22)6-3-9(17)12(20)10(18)4-6/h1-4H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	259	-37.6	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22732 (1,2-bis(2-chlorophenyl)ethane-1,2-dione | Benzil-b...) Show SMILES Clc1ccccc1C(=O)C(=O)c1ccccc1Cl Show InChI InChI=1S/C14H8Cl2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	353	-36.8	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22751 (1,2-bis(3-nitrophenyl)ethane-1,2-dione | Benzil-ba...) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)C(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C14H8N2O6/c17-13(9-3-1-5-11(7-9)15(19)20)14(18)10-4-2-6-12(8-10)16(21)22/h1-8H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	397	-36.5	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22799 (1-{[(4-ethylphenyl)amino]methyl}-2,3-dihydro-1H-in...) Show SMILES CCc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C17H16N2O2/c1-2-12-7-9-13(10-8-12)18-11-19-15-6-4-3-5-14(15)16(20)17(19)21/h3-10,18H,2,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	410	-36.5	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22848 (1,2-Dione-Based Compound, 5 | 1,2-bis(4-nitropheny...) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C14H8N2O6/c17-13(9-1-5-11(6-2-9)15(19)20)14(18)10-3-7-12(8-4-10)16(21)22/h1-8H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	470	-36.1	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22800 (1-{[(4-tert-butylphenyl)amino]methyl}-2,3-dihydro-...) Show SMILES CC(C)(C)c1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C19H20N2O2/c1-19(2,3)13-8-10-14(11-9-13)20-12-21-16-7-5-4-6-15(16)17(22)18(21)23/h4-11,20H,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	610	-35.5	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22854 (1,2-Dione-Based Compound, 11 | 5,6-dinitro-1,2-dih...) Show SMILES [O-][N+](=O)c1ccc2c3c(ccc([N+]([O-])=O)c13)c(=O)c2=O Show InChI InChI=1S/C12H4N2O6/c15-11-5-1-3-7(13(17)18)10-8(14(19)20)4-2-6(9(5)10)12(11)16/h1-4H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	620	-35.4	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22786 (1-(2-iodoethyl)-2,3-dihydro-1H-indole-2,3-dione | ...) Show SMILES ICCN1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C10H8INO2/c11-5-6-12-8-4-2-1-3-7(8)9(13)10(12)14/h1-4H,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	740	-35.0	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22794 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...) Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O Show InChI InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	870	-34.6	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22793 (1‐phenylindole‐2,3‐dione (Compou...) Show SMILES O=C1N(c2ccccc2C1=O)c1ccccc1 Show InChI InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	950	-34.4	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22797 (1-{[(4-methylphenyl)amino]methyl}-2,3-dihydro-1H-i...) Show SMILES Cc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)17-10-18-14-5-3-2-4-13(14)15(19)16(18)20/h2-9,17H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.08E+3	-34.1	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22752 (1,2-bis(4-hydroxyphenyl)ethane-1,2-dione | Benzil-...) Show SMILES Oc1ccc(cc1)C(=O)C(=O)c1ccc(O)cc1 Show InChI InChI=1S/C14H10O4/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,15-16H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	-33.8	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22847 (1,2-Dione-Based Compound, 4 | 1,2-bis(4-ethoxyphen...) Show SMILES CCOc1ccc(cc1)C(=O)C(=O)c1ccc(OCC)cc1 Show InChI InChI=1S/C18H18O4/c1-3-21-15-9-5-13(6-10-15)17(19)18(20)14-7-11-16(12-8-14)22-4-2/h5-12H,3-4H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.42E+3	-33.4	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22785 (1-(2-bromoethyl)-2,3-dihydro-1H-indole-2,3-dione |...) Show SMILES BrCCN1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C10H8BrNO2/c11-5-6-12-8-4-2-1-3-7(8)9(13)10(12)14/h1-4H,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.58E+3	-33.1	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22724 (1-Phenylpropane-1,2-dione) Show SMILES CC(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.84E+3	-32.7	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22728 (2-hydroxy-1,2-diphenylethan-1-one | Benzoin | CHEM...) Show SMILES OC(C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.22E+3	-32.3	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22851 (1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...) Show SMILES O=C1C=Cc2ccccc2C1=O Show InChI InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+3	-32.1	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22801 (1-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2,3-dihy...) Show SMILES COc1cc(NCN2C(=O)C(=O)c3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C18H18N2O5/c1-23-14-8-11(9-15(24-2)17(14)25-3)19-10-20-13-7-5-4-6-12(13)16(21)18(20)22/h4-9,19H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.69E+3	-31.8	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair

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