Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50008790   

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
Prothrombin (Homo sapiens (Human))	BDBM50077183 (2N,6N-di[3-amino(imino)methylphenyl]-2N,4,6N-trime...) Show SMILES CN(c1cccc(c1)C(N)=N)c1nc(N(C)c2cccc(c2)C(N)=N)c(F)c(C)c1F Show InChI InChI=1S/C22H23F2N7/c1-12-17(23)21(30(2)15-8-4-6-13(10-15)19(25)26)29-22(18(12)24)31(3)16-9-5-7-14(11-16)20(27)28/h4-11H,1-3H3,(H3,25,26)(H3,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066614 ((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...) Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066618 (4-{6-[4-amino(imino)methylphenoxy]-2-pyridyloxy}ph...) Show SMILES NC(=N)c1ccc(Oc2cccc(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C19H17N5O2/c20-18(21)12-4-8-14(9-5-12)25-16-2-1-3-17(24-16)26-15-10-6-13(7-11-15)19(22)23/h1-11H,(H3,20,21)(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077165 (2-{6-[4-amino(imino)methylphenoxy]-2-pyridyloxy}ph...) Show SMILES NC(=N)c1ccc(Oc2cccc(Oc3ccccc3C(N)=N)n2)cc1 Show InChI InChI=1S/C19H17N5O2/c20-18(21)12-8-10-13(11-9-12)25-16-6-3-7-17(24-16)26-15-5-2-1-4-14(15)19(22)23/h1-11H,(H3,20,21)(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066631 (4-[3,5-Dichloro-6-(4-diaminomethyl-phenoxy)-pyridi...) Show SMILES NC(=N)c1ccc(Oc2nc(Oc3ccc(cc3)C(N)=N)c(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H15Cl2N5O2/c20-14-9-15(21)19(28-13-7-3-11(4-8-13)17(24)25)26-18(14)27-12-5-1-10(2-6-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077190 (2N-[3-amino(imino)methylphenyl]-2N,4-dimethyl-6-[3...) Show SMILES CN(c1cccc(c1)C(N)=N)c1nc(Oc2cccc(c2)C(N)=N)c(F)c(C)c1F Show InChI InChI=1S/C21H20F2N6O/c1-11-16(22)20(29(2)14-7-3-5-12(9-14)18(24)25)28-21(17(11)23)30-15-8-4-6-13(10-15)19(26)27/h3-10H,1-2H3,(H3,24,25)(H3,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077175 (4-(6-(4-amino(imino)methylphenoxy)-3,5-dichloro-2-...) Show SMILES NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)c(Cl)cc2Cl)cc1 Show InChI InChI=1S/C20H16Cl2N4O2/c21-15-9-16(22)18(28-14-7-3-12(4-8-14)20(25)26)10-17(15)27-13-5-1-11(2-6-13)19(23)24/h1-10H,(H3,23,24)(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077189 (CHEMBL295263 | N-[2,6-Bis-(3-carbamimidoyl-phenoxy...) Show SMILES NC(=N)c1cccc(Oc2ccc(NC(=O)c3ccccc3)c(Oc3cccc(c3)C(N)=N)n2)c1 Show InChI InChI=1S/C26H22N6O3/c27-23(28)17-8-4-10-19(14-17)34-22-13-12-21(31-25(33)16-6-2-1-3-7-16)26(32-22)35-20-11-5-9-18(15-20)24(29)30/h1-15H,(H3,27,28)(H3,29,30)(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077170 (2,6-di[3-amino-phenyl carboxamide-(imino)methylphe...) Show SMILES NC(=N)c1cccc(Oc2ccc(NC(=O)Nc3ccccc3)c(Oc3cccc(c3)C(N)=N)n2)c1 Show InChI InChI=1S/C26H23N7O3/c27-23(28)16-6-4-10-19(14-16)35-22-13-12-21(32-26(34)31-18-8-2-1-3-9-18)25(33-22)36-20-11-5-7-17(15-20)24(29)30/h1-15H,(H3,27,28)(H3,29,30)(H2,31,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077180 (2,6-Bis-(3-carbamimidoyl-phenoxy)-N-methyl-isonico...) Show SMILES CNC(=O)c1cc(Oc2cccc(c2)C(N)=N)nc(Oc2cccc(c2)C(N)=N)c1 Show InChI InChI=1S/C21H20N6O3/c1-26-21(28)14-10-17(29-15-6-2-4-12(8-15)19(22)23)27-18(11-14)30-16-7-3-5-13(9-16)20(24)25/h2-11H,1H3,(H3,22,23)(H3,24,25)(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077177 (4-{3-[4-amino(imino)methylphenoxy]phenoxy}phenyl-i...) Show SMILES NC(=N)c1ccc(Oc2cccc(Oc3ccc(cc3)C(N)=N)c2)cc1 Show InChI InChI=1S/C20H18N4O2/c21-19(22)13-4-8-15(9-5-13)25-17-2-1-3-18(12-17)26-16-10-6-14(7-11-16)20(23)24/h1-12H,(H3,21,22)(H3,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077176 (2,6-Bis-(3-carbamimidoyl-phenoxy)-nicotinamide | C...) Show SMILES NC(=N)c1cccc(Oc2ccc(C(N)=O)c(Oc3cccc(c3)C(N)=N)n2)c1 Show InChI InChI=1S/C20H18N6O3/c21-17(22)11-3-1-5-13(9-11)28-16-8-7-15(19(25)27)20(26-16)29-14-6-2-4-12(10-14)18(23)24/h1-10H,(H3,21,22)(H3,23,24)(H2,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077171 (2,6-di[3-amino-N-methyl carboxamide-(imino)methylp...) Show SMILES CNC(=O)Nc1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N Show InChI InChI=1S/C21H21N7O3/c1-26-21(29)27-16-8-9-17(30-14-6-2-4-12(10-14)18(22)23)28-20(16)31-15-7-3-5-13(11-15)19(24)25/h2-11H,1H3,(H3,22,23)(H3,24,25)(H2,26,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077173 (CHEMBL48595 | N-{2,6-di[3-amino(imino)methylphenox...) Show SMILES CS(=O)(=O)Nc1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N Show InChI InChI=1S/C20H20N6O4S/c1-31(27,28)26-16-8-9-17(29-14-6-2-4-12(10-14)18(21)22)25-20(16)30-15-7-3-5-13(11-15)19(23)24/h2-11,26H,1H3,(H3,21,22)(H3,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077181 (3-{6-[3-amino(imino)methylphenoxy]-3,5-difluoro-4-...) Show SMILES COc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2cccc(c2)C(N)=N)c1F Show InChI InChI=1S/C20H17F2N5O3/c1-28-16-14(21)19(29-12-6-2-4-10(8-12)17(23)24)27-20(15(16)22)30-13-7-3-5-11(9-13)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077188 (2,6-Bis-(3-carbamimidoyl-phenoxy)-N-methyl-nicotin...) Show SMILES CNC(=O)c1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N Show InChI InChI=1S/C21H20N6O3/c1-26-20(28)16-8-9-17(29-14-6-2-4-12(10-14)18(22)23)27-21(16)30-15-7-3-5-13(11-15)19(24)25/h2-11H,1H3,(H3,22,23)(H3,24,25)(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077186 (2,6-di[3-amino(imino)methylphenoxy]-3-pyridinamine...) Show SMILES NC(=N)c1cccc(Oc2ccc(N)c(Oc3cccc(c3)C(N)=N)n2)c1 Show InChI InChI=1S/C19H18N6O2/c20-15-7-8-16(26-13-5-1-3-11(9-13)17(21)22)25-19(15)27-14-6-2-4-12(10-14)18(23)24/h1-10H,20H2,(H3,21,22)(H3,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077179 (2,6-Bis-(3-carbamimidoyl-phenoxy)-nicotinic acid e...) Show SMILES CCOC(=O)c1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N Show InChI InChI=1S/C22H21N5O4/c1-2-29-22(28)17-9-10-18(30-15-7-3-5-13(11-15)19(23)24)27-21(17)31-16-8-4-6-14(12-16)20(25)26/h3-12H,2H2,1H3,(H3,23,24)(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077166 (2N-[3-amino(imino)methylphenyl]-6-[3-amino(imino)m...) Show SMILES Cc1c(F)c(Nc2cccc(c2)C(N)=N)nc(Oc2cccc(c2)C(N)=N)c1F Show InChI InChI=1S/C20H18F2N6O/c1-10-15(21)19(27-13-6-2-4-11(8-13)17(23)24)28-20(16(10)22)29-14-7-3-5-12(9-14)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM17283 ((2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-{[(3S...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O |r| Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077172 (CHEMBL49295 | N-[2,6-Bis-(3-carbamimidoyl-phenoxy)...) Show SMILES CC(=O)Nc1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N Show InChI InChI=1S/C21H20N6O3/c1-12(28)26-17-8-9-18(29-15-6-2-4-13(10-15)19(22)23)27-21(17)30-16-7-3-5-14(11-16)20(24)25/h2-11H,1H3,(H3,22,23)(H3,24,25)(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077174 (6-[6-(3-Carbamimidoyl-phenoxy)-5-oxo-1,2,5,6-tetra...) Show SMILES NC(=N)c1cccc(OC2N=C(CNC2=O)Oc2cccc(n2)C(N)=N)c1 |c:10| Show InChI InChI=1S/C17H17N7O3/c18-14(19)9-3-1-4-10(7-9)26-17-16(25)22-8-13(24-17)27-12-6-2-5-11(23-12)15(20)21/h1-7,17H,8H2,(H3,18,19)(H3,20,21)(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077185 (6-[6-(3-Carbamimidoyl-phenoxy)-pyrazin-2-yloxy]-py...) Show SMILES NC(=N)c1cccc(Oc2cncc(Oc3cccc(n3)C(N)=N)n2)c1 Show InChI InChI=1S/C17H15N7O2/c18-16(19)10-3-1-4-11(7-10)25-14-8-22-9-15(24-14)26-13-6-2-5-12(23-13)17(20)21/h1-9H,(H3,18,19)(H3,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077194 (3-{6-[3-amino(imino)methylphenoxy]-3-trifluorometh...) Show SMILES NC(=N)c1cccc(Oc2ccc(c(Oc3cccc(c3)C(N)=N)n2)C(F)(F)F)c1 Show InChI InChI=1S/C20H16F3N5O2/c21-20(22,23)15-7-8-16(29-13-5-1-3-11(9-13)17(24)25)28-19(15)30-14-6-2-4-12(10-14)18(26)27/h1-10H,(H3,24,25)(H3,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077167 (2-{3-[2,6-Bis-(3-carbamimidoyl-phenoxy)-pyridin-3-...) Show SMILES NC(=O)CNC(=O)Nc1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N Show InChI InChI=1S/C22H22N8O4/c23-17(31)11-28-22(32)29-16-7-8-18(33-14-5-1-3-12(9-14)19(24)25)30-21(16)34-15-6-2-4-13(10-15)20(26)27/h1-10H,11H2,(H2,23,31)(H3,24,25)(H3,26,27)(H2,28,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077192 (6-[6-(3-Carbamimidoyl-phenoxy)-4-oxy-pyrazin-2-ylo...) Show SMILES NC(=N)c1cccc(Oc2c[n+]([O-])cc(Oc3cccc(n3)C(N)=N)n2)c1 Show InChI InChI=1S/C17H15N7O3/c18-16(19)10-3-1-4-11(7-10)26-14-8-24(25)9-15(23-14)27-13-6-2-5-12(22-13)17(20)21/h1-9H,(H3,18,19)(H3,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077191 (6-[2-(3-Carbamimidoyl-phenoxy)-pyrimidin-4-yloxy]-...) Show SMILES NC(=N)c1cccc(Oc2nccc(Oc3cccc(n3)C(N)=N)n2)c1 Show InChI InChI=1S/C17H15N7O2/c18-15(19)10-3-1-4-11(9-10)25-17-22-8-7-14(24-17)26-13-6-2-5-12(23-13)16(20)21/h1-9H,(H3,18,19)(H3,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066629 (3-{6-[3-amino(imino)methylphenoxy]-3,5-dichloro-2-...) Show SMILES NC(=N)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(Cl)cc2Cl)c1 Show InChI InChI=1S/C19H15Cl2N5O2/c20-14-9-15(21)19(28-13-6-2-4-11(8-13)17(24)25)26-18(14)27-12-5-1-3-10(7-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077193 (2,6-Bis-(3-carbamimidoyl-phenoxy)-N-carbamoylmethy...) Show SMILES NC(=O)CNC(=O)c1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N Show InChI InChI=1S/C22H21N7O4/c23-17(30)11-28-21(31)16-7-8-18(32-14-5-1-3-12(9-14)19(24)25)29-22(16)33-15-6-2-4-13(10-15)20(26)27/h1-10H,11H2,(H2,23,30)(H3,24,25)(H3,26,27)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077169 (2,6-Bis-(3-carbamimidoyl-phenoxy)-N,N-dimethyl-nic...) Show SMILES CN(C)C(=O)c1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N Show InChI InChI=1S/C22H22N6O3/c1-28(2)22(29)17-9-10-18(30-15-7-3-5-13(11-15)19(23)24)27-21(17)31-16-8-4-6-14(12-16)20(25)26/h3-12H,1-2H3,(H3,23,24)(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077168 (2,6-Bis-(3-carbamimidoyl-phenoxy)-isonicotinamide ...) Show SMILES NC(=N)c1cccc(Oc2cc(cc(Oc3cccc(c3)C(N)=N)n2)C(N)=O)c1 Show InChI InChI=1S/C20H18N6O3/c21-18(22)11-3-1-5-14(7-11)28-16-9-13(20(25)27)10-17(26-16)29-15-6-2-4-12(8-15)19(23)24/h1-10H,(H3,21,22)(H3,23,24)(H2,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077184 (2,6-Bis-(3-carbamimidoyl-phenoxy)-isonicotinic aci...) Show SMILES CCOC(=O)c1cc(Oc2cccc(c2)C(N)=N)nc(Oc2cccc(c2)C(N)=N)c1 Show InChI InChI=1S/C22H21N5O4/c1-2-29-22(28)15-11-18(30-16-7-3-5-13(9-16)20(23)24)27-19(12-15)31-17-8-4-6-14(10-17)21(25)26/h3-12H,2H2,1H3,(H3,23,24)(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066626 (3-{6-[3-amino(imino)methylphenoxy]-2-pyridyloxy}ph...) Show SMILES NC(=N)c1cccc(Oc2cccc(Oc3cccc(c3)C(N)=N)n2)c1 Show InChI InChI=1S/C19H17N5O2/c20-18(21)12-4-1-6-14(10-12)25-16-8-3-9-17(24-16)26-15-7-2-5-13(11-15)19(22)23/h1-11H,(H3,20,21)(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM17278 (3-{[6-(3-carbamimidoylphenoxy)-3,5-difluoro-4-meth...) Show SMILES Cc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2cccc(c2)C(N)=N)c1F Show InChI InChI=1S/C20H17F2N5O2/c1-10-15(21)19(28-13-6-2-4-11(8-13)17(23)24)27-20(16(10)22)29-14-7-3-5-12(9-14)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066620 (2,6-Bis-(3-carbamimidoyl-phenoxy)-isonicotinic aci...) Show SMILES NC(=N)c1cccc(Oc2cc(cc(Oc3cccc(c3)C(N)=N)n2)C(O)=O)c1 Show InChI InChI=1S/C20H17N5O4/c21-18(22)11-3-1-5-14(7-11)28-16-9-13(20(26)27)10-17(25-16)29-15-6-2-4-12(8-15)19(23)24/h1-10H,(H3,21,22)(H3,23,24)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066640 (3-{6-[3-amino(imino)methylphenoxy]-3,5-difluoro-2-...) Show SMILES NC(=N)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)cc2F)c1 Show InChI InChI=1S/C19H15F2N5O2/c20-14-9-15(21)19(28-13-6-2-4-11(8-13)17(24)25)26-18(14)27-12-5-1-3-10(7-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077178 (2,6-Bis-(3-carbamimidoyl-phenoxy)-nicotinic acid |...) Show SMILES NC(=N)c1cccc(Oc2ccc(C(O)=O)c(Oc3cccc(c3)C(N)=N)n2)c1 Show InChI InChI=1S/C20H17N5O4/c21-17(22)11-3-1-5-13(9-11)28-16-8-7-15(20(26)27)19(25-16)29-14-6-2-4-12(10-14)18(23)24/h1-10H,(H3,21,22)(H3,23,24)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair