Compile Data Set for Download or QSAR

Found 381 hits with Last Name = 'coppo' and Initial = 'f'   

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))	BDBM50149023 (3-{[1-({[(diaminomethylidene)amino]oxy}methyl)cycl...) Show SMILES CCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCC2(CONC(N)=N)CC2)c1 Show InChI InChI=1S/C22H30N4O4/c1-3-7-26(12-17-4-8-28-13-17)20(27)18-9-16(2)10-19(11-18)29-14-22(5-6-22)15-30-25-21(23)24/h4,8-11,13H,3,5-7,12,14-15H2,1-2H3,(H4,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149022 (CHEMBL421081 | Oxyguanidine derivative) Show SMILES Cc1cc(OCC2(CONC(N)=N)CC2)cc(c1)C(=O)N(CC1CC1)Cc1ccoc1 Show InChI InChI=1S/C23H30N4O4/c1-16-8-19(21(28)27(11-17-2-3-17)12-18-4-7-29-13-18)10-20(9-16)30-14-23(5-6-23)15-31-26-22(24)25/h4,7-10,13,17H,2-3,5-6,11-12,14-15H2,1H3,(H4,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149015 (CHEMBL122144 | Oxyguanidine derivative) Show SMILES CCN(C1CCCCC1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C20H32N4O3/c1-3-24(17-8-5-4-6-9-17)19(25)16-12-15(2)13-18(14-16)26-10-7-11-27-23-20(21)22/h12-14,17H,3-11H2,1-2H3,(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149020 (CHEMBL122696 | Oxyguanidine derivative) Show SMILES CCSCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C21H30N4O4S/c1-3-30-10-6-25(14-17-5-9-27-15-17)20(26)18-11-16(2)12-19(13-18)28-7-4-8-29-24-21(22)23/h5,9,11-13,15H,3-4,6-8,10,14H2,1-2H3,(H4,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50148990 (CHEMBL421243 | Oxyguanidine derivative) Show SMILES CC(C)CCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C22H32N4O4/c1-16(2)5-7-26(14-18-6-10-28-15-18)21(27)19-11-17(3)12-20(13-19)29-8-4-9-30-25-22(23)24/h6,10-13,15-16H,4-5,7-9,14H2,1-3H3,(H4,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149008 (CHEMBL122205 | Oxyguanidine derivative) Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CCCCCC(N)=O)C1CCCCC1 Show InChI InChI=1S/C24H39N5O4/c1-18-15-19(17-21(16-18)32-13-8-14-33-28-24(26)27)23(31)29(20-9-4-2-5-10-20)12-7-3-6-11-22(25)30/h15-17,20H,2-14H2,1H3,(H2,25,30)(H4,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50148994 (CHEMBL421096 | Oxyguanidine derivative) Show SMILES CCCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C21H30N4O4/c1-3-4-7-25(14-17-6-10-27-15-17)20(26)18-11-16(2)12-19(13-18)28-8-5-9-29-24-21(22)23/h6,10-13,15H,3-5,7-9,14H2,1-2H3,(H4,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50148988 (CHEMBL123028 | Oxyguanidine derivative) Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC=C)C1CCCCC1 Show InChI InChI=1S/C21H32N4O3/c1-3-10-25(18-8-5-4-6-9-18)20(26)17-13-16(2)14-19(15-17)27-11-7-12-28-24-21(22)23/h3,13-15,18H,1,4-12H2,2H3,(H4,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149017 (CHEMBL341539 | Oxyguanidine derivative) Show SMILES CCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C20H28N4O4/c1-3-6-24(13-16-5-9-26-14-16)19(25)17-10-15(2)11-18(12-17)27-7-4-8-28-23-20(21)22/h5,9-12,14H,3-4,6-8,13H2,1-2H3,(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149032 (CHEMBL123226 | Oxyguanidine derivative) Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC=C)C1CCCC1 Show InChI InChI=1S/C20H30N4O3/c1-3-9-24(17-7-4-5-8-17)19(25)16-12-15(2)13-18(14-16)26-10-6-11-27-23-20(21)22/h3,12-14,17H,1,4-11H2,2H3,(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50148999 (CHEMBL121892 | Oxyguanidine derivative) Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC1CC1)Cc1ccoc1 Show InChI InChI=1S/C21H28N4O4/c1-15-9-18(11-19(10-15)28-6-2-7-29-24-21(22)23)20(26)25(12-16-3-4-16)13-17-5-8-27-14-17/h5,8-11,14,16H,2-4,6-7,12-13H2,1H3,(H4,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50148987 (CHEMBL125772 | Oxyguanidine derivative) Show SMILES CCCN(CC1CCC1)C(=O)c1cc(Cl)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C19H29ClN4O3/c1-2-7-24(13-14-5-3-6-14)18(25)15-10-16(20)12-17(11-15)26-8-4-9-27-23-19(21)22/h10-12,14H,2-9,13H2,1H3,(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149027 (CHEMBL121686 | Oxyguanidine derivative) Show SMILES CCCN(CC1CCC1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C20H32N4O3/c1-3-8-24(14-16-6-4-7-16)19(25)17-11-15(2)12-18(13-17)26-9-5-10-27-23-20(21)22/h11-13,16H,3-10,14H2,1-2H3,(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149034 (CHEMBL124164 | Oxyguanidine derivative) Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CC1CC1)Cc1ccoc1 Show InChI InChI=1S/C20H25ClN4O4/c21-17-8-16(9-18(10-17)28-5-1-6-29-24-20(22)23)19(26)25(11-14-2-3-14)12-15-4-7-27-13-15/h4,7-10,13-14H,1-3,5-6,11-12H2,(H4,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149019 (CHEMBL123453 | Oxyguanidine derivative) Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CC=C)Cc1ccoc1 Show InChI InChI=1S/C19H23ClN4O4/c1-2-5-24(12-14-4-8-26-13-14)18(25)15-9-16(20)11-17(10-15)27-6-3-7-28-23-19(21)22/h2,4,8-11,13H,1,3,5-7,12H2,(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149000 (CHEMBL332660 | Oxyguanidine derivative) Show SMILES CCCN(Cc1ccc(F)cc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C22H29FN4O3/c1-3-9-27(15-17-5-7-19(23)8-6-17)21(28)18-12-16(2)13-20(14-18)29-10-4-11-30-26-22(24)25/h5-8,12-14H,3-4,9-11,15H2,1-2H3,(H4,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149014 (CHEMBL121817 | Oxyguanidine derivative) Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC1CCCCC1)Cc1ccoc1 Show InChI InChI=1S/C24H34N4O4/c1-18-12-21(14-22(13-18)31-9-5-10-32-27-24(25)26)23(29)28(16-20-8-11-30-17-20)15-19-6-3-2-4-7-19/h8,11-14,17,19H,2-7,9-10,15-16H2,1H3,(H4,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149003 (CHEMBL123440 | N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY...) Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CC=C)C1CCCC1 Show InChI InChI=1S/C19H27ClN4O3/c1-2-8-24(16-6-3-4-7-16)18(25)14-11-15(20)13-17(12-14)26-9-5-10-27-23-19(21)22/h2,11-13,16H,1,3-10H2,(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50149002 (CHEMBL330788 | Oxyguanidine derivative) Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(Cc1ccoc1)C1CCC1 Show InChI InChI=1S/C21H28N4O4/c1-15-10-17(12-19(11-15)28-7-3-8-29-24-21(22)23)20(26)25(18-4-2-5-18)13-16-6-9-27-14-16/h6,9-12,14,18H,2-5,7-8,13H2,1H3,(H4,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149010 (CHEMBL339909 | Oxyguanidine derivative) Show SMILES CCCN(CC1CC1)C(=O)c1cc(Cl)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C18H27ClN4O3/c1-2-6-23(12-13-4-5-13)17(24)14-9-15(19)11-16(10-14)25-7-3-8-26-22-18(20)21/h9-11,13H,2-8,12H2,1H3,(H4,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149037 (CHEMBL125603 | Oxyguanidine derivative) Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC1CC1)Cc1ccncc1 Show InChI InChI=1S/C22H29N5O3/c1-16-11-19(13-20(12-16)29-9-2-10-30-26-22(23)24)21(28)27(14-17-3-4-17)15-18-5-7-25-8-6-18/h5-8,11-13,17H,2-4,9-10,14-15H2,1H3,(H4,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149029 (CHEMBL331769 | Oxyguanidine derivative) Show SMILES COCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C20H28N4O5/c1-15-10-17(12-18(11-15)28-6-3-7-29-23-20(21)22)19(25)24(5-9-26-2)13-16-4-8-27-14-16/h4,8,10-12,14H,3,5-7,9,13H2,1-2H3,(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149012 (CHEMBL333182 | Oxyguanidine derivative) Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC1CC1)Cc1ccsc1 Show InChI InChI=1S/C21H28N4O3S/c1-15-9-18(11-19(10-15)27-6-2-7-28-24-21(22)23)20(26)25(12-16-3-4-16)13-17-5-8-29-14-17/h5,8-11,14,16H,2-4,6-7,12-13H2,1H3,(H4,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149009 (CHEMBL338284 | Oxyguanidine derivative) Show SMILES CN(C1CCCCC1)C(=O)c1cc(Cl)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C18H27ClN4O3/c1-23(15-6-3-2-4-7-15)17(24)13-10-14(19)12-16(11-13)25-8-5-9-26-22-18(20)21/h10-12,15H,2-9H2,1H3,(H4,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149035 (CHEMBL122162 | Oxyguanidine derivative) Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC1CC1)Cc1cccnc1 Show InChI InChI=1S/C22H29N5O3/c1-16-10-19(12-20(11-16)29-8-3-9-30-26-22(23)24)21(28)27(14-17-5-6-17)15-18-4-2-7-25-13-18/h2,4,7,10-13,17H,3,5-6,8-9,14-15H2,1H3,(H4,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50148986 (CHEMBL122553 | Oxyguanidine derivative) Show SMILES COC(=O)CCN(CC1CC1)C(=O)c1cc(Cl)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C19H27ClN4O5/c1-27-17(25)5-6-24(12-13-3-4-13)18(26)14-9-15(20)11-16(10-14)28-7-2-8-29-23-19(21)22/h9-11,13H,2-8,12H2,1H3,(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50148991 (CHEMBL124500 | Oxyguanidine derivative) Show SMILES CCCN(CC1CCCC1)C(=O)c1cc(Cl)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C20H31ClN4O3/c1-2-8-25(14-15-6-3-4-7-15)19(26)16-11-17(21)13-18(12-16)27-9-5-10-28-24-20(22)23/h11-13,15H,2-10,14H2,1H3,(H4,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50148998 (CHEMBL420912 | Oxyguanidine derivative) Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CCc1cccnc1)CC1CC1 Show InChI InChI=1S/C22H28ClN5O3/c23-19-11-18(12-20(13-19)30-9-2-10-31-27-22(24)25)21(29)28(15-17-4-5-17)8-6-16-3-1-7-26-14-16/h1,3,7,11-14,17H,2,4-6,8-10,15H2,(H4,24,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149018 (CHEMBL126096 | Oxyguanidine derivative) Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CCc1ccncc1)CC1CC1 Show InChI InChI=1S/C22H28ClN5O3/c23-19-12-18(13-20(14-19)30-10-1-11-31-27-22(24)25)21(29)28(15-17-2-3-17)9-6-16-4-7-26-8-5-16/h4-5,7-8,12-14,17H,1-3,6,9-11,15H2,(H4,24,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149021 (CHEMBL122276 | Oxyguanidine derivative) Show SMILES CCCN(Cc1cccnc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C21H29N5O3/c1-3-8-26(15-17-6-4-7-24-14-17)20(27)18-11-16(2)12-19(13-18)28-9-5-10-29-25-21(22)23/h4,6-7,11-14H,3,5,8-10,15H2,1-2H3,(H4,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149025 (CHEMBL334315 | Oxyguanidine derivative) Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CCc1ccccn1)CC1CC1 Show InChI InChI=1S/C22H28ClN5O3/c23-18-12-17(13-20(14-18)30-10-3-11-31-27-22(24)25)21(29)28(15-16-5-6-16)9-7-19-4-1-2-8-26-19/h1-2,4,8,12-14,16H,3,5-7,9-11,15H2,(H4,24,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149007 (CHEMBL122029 | Oxyguanidine derivative) Show SMILES CCOC(=O)CCN(CC1CC1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C21H32N4O5/c1-3-28-19(26)7-8-25(14-16-5-6-16)20(27)17-11-15(2)12-18(13-17)29-9-4-10-30-24-21(22)23/h11-13,16H,3-10,14H2,1-2H3,(H4,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149036 (CHEMBL332232 | Oxyguanidine derivative) Show SMILES CC(C)N(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C20H28N4O4/c1-14(2)24(12-16-5-8-26-13-16)19(25)17-9-15(3)10-18(11-17)27-6-4-7-28-23-20(21)22/h5,8-11,13-14H,4,6-7,12H2,1-3H3,(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149013 (CHEMBL338364 | Oxyguanidine derivative) Show SMILES CCCN(Cc1ccncc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C21H29N5O3/c1-3-9-26(15-17-5-7-24-8-6-17)20(27)18-12-16(2)13-19(14-18)28-10-4-11-29-25-21(22)23/h5-8,12-14H,3-4,9-11,15H2,1-2H3,(H4,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149006 (CHEMBL121456 | Oxyguanidine derivative) Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC1CC1)Cc1ccccn1 Show InChI InChI=1S/C22H29N5O3/c1-16-11-18(13-20(12-16)29-9-4-10-30-26-22(23)24)21(28)27(14-17-6-7-17)15-19-5-2-3-8-25-19/h2-3,5,8,11-13,17H,4,6-7,9-10,14-15H2,1H3,(H4,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50148993 (CHEMBL122198 | Oxyguanidine derivative) Show SMILES CCN(Cc1ccccc1)C(=O)c1cc(Cl)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C20H25ClN4O3/c1-2-25(14-15-7-4-3-5-8-15)19(26)16-11-17(21)13-18(12-16)27-9-6-10-28-24-20(22)23/h3-5,7-8,11-13H,2,6,9-10,14H2,1H3,(H4,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149026 (CHEMBL331194 | Oxyguanidine derivative) Show SMILES CCCN(Cc1ccccn1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C21H29N5O3/c1-3-9-26(15-18-7-4-5-8-24-18)20(27)17-12-16(2)13-19(14-17)28-10-6-11-29-25-21(22)23/h4-5,7-8,12-14H,3,6,9-11,15H2,1-2H3,(H4,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149030 (CHEMBL125991 | Oxyguanidine derivative) Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CCC(N)=O)Cc1ccoc1 Show InChI InChI=1S/C20H27N5O5/c1-14-9-16(11-17(10-14)29-6-2-7-30-24-20(22)23)19(27)25(5-3-18(21)26)12-15-4-8-28-13-15/h4,8-11,13H,2-3,5-7,12H2,1H3,(H2,21,26)(H4,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50148985 (CHEMBL122285 | Oxyguanidine derivative) Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CC=C)Cc1cccs1 Show InChI InChI=1S/C19H23ClN4O3S/c1-2-6-24(13-17-5-3-9-28-17)18(25)14-10-15(20)12-16(11-14)26-7-4-8-27-23-19(21)22/h2-3,5,9-12H,1,4,6-8,13H2,(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	147	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149024 (CHEMBL334170 | Oxyguanidine derivative) Show SMILES COCCN(CC1CC1)C(=O)c1cc(Cl)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C18H27ClN4O4/c1-25-8-5-23(12-13-3-4-13)17(24)14-9-15(19)11-16(10-14)26-6-2-7-27-22-18(20)21/h9-11,13H,2-8,12H2,1H3,(H4,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149031 (CHEMBL122687 | Oxyguanidine derivative) Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CCN1CCOCC1)CC1CC1 Show InChI InChI=1S/C21H32ClN5O4/c22-18-12-17(13-19(14-18)30-8-1-9-31-25-21(23)24)20(28)27(15-16-2-3-16)5-4-26-6-10-29-11-7-26/h12-14,16H,1-11,15H2,(H4,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149028 (CHEMBL123757 | Oxyguanidine derivative) Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C20H23ClN4O3/c21-17-10-16(11-18(12-17)27-8-3-9-28-24-20(22)23)19(26)25-7-6-14-4-1-2-5-15(14)13-25/h1-2,4-5,10-12H,3,6-9,13H2,(H4,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50148997 (CHEMBL125297 | Oxyguanidine derivative) Show SMILES CCCN(Cc1nccs1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C19H27N5O3S/c1-3-6-24(13-17-22-5-9-28-17)18(25)15-10-14(2)11-16(12-15)26-7-4-8-27-23-19(20)21/h5,9-12H,3-4,6-8,13H2,1-2H3,(H4,20,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149001 (CHEMBL124114 | Oxyguanidine derivative) Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CCN1CCCC1)CC1CC1 Show InChI InChI=1S/C21H32ClN5O3/c22-18-12-17(13-19(14-18)29-10-3-11-30-25-21(23)24)20(28)27(15-16-4-5-16)9-8-26-6-1-2-7-26/h12-14,16H,1-11,15H2,(H4,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149038 (CHEMBL122497 | Oxyguanidine derivative) Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CCC(O)=O)CC1CC1 Show InChI InChI=1S/C18H25ClN4O5/c19-14-8-13(9-15(10-14)27-6-1-7-28-22-18(20)21)17(26)23(5-4-16(24)25)11-12-2-3-12/h8-10,12H,1-7,11H2,(H,24,25)(H4,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	213	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149005 (CHEMBL125782 | Oxyguanidine derivative) Show SMILES CN(C1CCCC1)C(=O)c1cc(Cl)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C17H25ClN4O3/c1-22(14-5-2-3-6-14)16(23)12-9-13(18)11-15(10-12)24-7-4-8-25-21-17(19)20/h9-11,14H,2-8H2,1H3,(H4,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	373	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50148992 (CHEMBL121488 | Oxyguanidine derivative) Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N1CCCCCC1 Show InChI InChI=1S/C17H25ClN4O3/c18-14-10-13(16(23)22-6-3-1-2-4-7-22)11-15(12-14)24-8-5-9-25-21-17(19)20/h10-12H,1-9H2,(H4,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50148996 (CHEMBL332743 | Oxyguanidine derivative) Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C20H25ClN6O3/c21-16-12-15(13-17(14-16)29-10-3-11-30-25-20(22)23)19(28)27-8-6-26(7-9-27)18-4-1-2-5-24-18/h1-2,4-5,12-14H,3,6-11H2,(H4,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149011 (CHEMBL121936 | Oxyguanidine derivative) Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N1CCCCC1 Show InChI InChI=1S/C16H23ClN4O3/c17-13-9-12(15(22)21-5-2-1-3-6-21)10-14(11-13)23-7-4-8-24-20-16(18)19/h9-11H,1-8H2,(H4,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair

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