Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'salemme' and Initial = 'fr'   

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))	BDBM50070599 (2-Chloro-benzenesulfonic acid 3-(4-guanidino-butox...) Show SMILES Cc1cc(OCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C18H22ClN3O4S/c1-13-10-14(25-9-5-4-8-22-18(20)21)12-15(11-13)26-27(23,24)17-7-3-2-6-16(17)19/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H4,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083968 (3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...) Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2C(F)(F)F)c1 |w:8.8| Show InChI InChI=1S/C18H19F3N4O4S/c1-12-9-13(28-8-4-7-24-25-17(22)23)11-14(10-12)29-30(26,27)16-6-3-2-5-15(16)18(19,20)21/h2-3,5-7,9-11H,4,8H2,1H3,(H4,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070597 (2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...) Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C20H24ClN3O4S/c1-14-10-16(27-13-15-6-8-24(9-7-15)20(22)23)12-17(11-14)28-29(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,15H,6-9,13H2,1H3,(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Thrombin				Bioorg Med Chem Lett 10: 83-5 (2000) BindingDB Entry DOI: 10.7270/Q2BR8RDT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070597 (2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...) Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C20H24ClN3O4S/c1-14-10-16(27-13-15-6-8-24(9-7-15)20(22)23)12-17(11-14)28-29(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,15H,6-9,13H2,1H3,(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate				Bioorg Med Chem Lett 8: 1595-600 (1999) BindingDB Entry DOI: 10.7270/Q20864GK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070597 (2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...) Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C20H24ClN3O4S/c1-14-10-16(27-13-15-6-8-24(9-7-15)20(22)23)12-17(11-14)28-29(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,15H,6-9,13H2,1H3,(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083963 (3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...) Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccc3cccnc23)c1 |w:8.8| Show InChI InChI=1S/C20H21N5O4S/c1-14-11-16(28-10-4-9-24-25-20(21)22)13-17(12-14)29-30(26,27)18-7-2-5-15-6-3-8-23-19(15)18/h2-3,5-9,11-13H,4,10H2,1H3,(H4,21,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083971 (3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...) Show SMILES Cc1cccc(c1)S(=O)(=O)Oc1cc(C)cc(OCCC=NNC(N)=N)c1 |w:21.22| Show InChI InChI=1S/C18H22N4O4S/c1-13-5-3-6-17(11-13)27(23,24)26-16-10-14(2)9-15(12-16)25-8-4-7-21-22-18(19)20/h3,5-7,9-12H,4,8H2,1-2H3,(H4,19,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083969 (3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...) Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 |w:8.8| Show InChI InChI=1S/C17H19ClN4O4S/c1-12-9-13(25-8-4-7-21-22-17(19)20)11-14(10-12)26-27(23,24)16-6-3-2-5-15(16)18/h2-3,5-7,9-11H,4,8H2,1H3,(H4,19,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083967 (3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...) Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2C#N)c1 |w:8.8| Show InChI InChI=1S/C18H19N5O4S/c1-13-9-15(26-8-4-7-22-23-18(20)21)11-16(10-13)27-28(24,25)17-6-3-2-5-14(17)12-19/h2-3,5-7,9-11H,4,8H2,1H3,(H4,20,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083966 (3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...) Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccc(Cl)s2)c1 |w:8.8| Show InChI InChI=1S/C15H17ClN4O4S2/c1-10-7-11(23-6-2-5-19-20-15(17)18)9-12(8-10)24-26(21,22)14-4-3-13(16)25-14/h3-5,7-9H,2,6H2,1H3,(H4,17,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083961 (3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...) Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1 |w:8.8| Show InChI InChI=1S/C17H18Cl2N4O4S/c1-11-8-12(26-7-3-6-22-23-17(20)21)10-13(9-11)27-28(24,25)15-5-2-4-14(18)16(15)19/h2,4-6,8-10H,3,7H2,1H3,(H4,20,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083964 (3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...) Show SMILES COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCC=NNC(N)=N)c1 |w:22.23| Show InChI InChI=1S/C18H22N4O5S/c1-13-10-14(26-9-5-8-21-22-18(19)20)12-15(11-13)27-28(23,24)17-7-4-3-6-16(17)25-2/h3-4,6-8,10-12H,5,9H2,1-2H3,(H4,19,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50064653 (2-Chloro-benzenesulfonic acid 3-methyl-5-[2-(methy...) Show SMILES CN(CCOc1cc(C)cc(OS(=O)(=O)c2ccccc2Cl)c1)c1ccncc1 Show InChI InChI=1S/C21H21ClN2O4S/c1-16-13-18(27-12-11-24(2)17-7-9-23-10-8-17)15-19(14-16)28-29(25,26)21-6-4-3-5-20(21)22/h3-10,13-15H,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate				Bioorg Med Chem Lett 8: 1595-600 (1999) BindingDB Entry DOI: 10.7270/Q20864GK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083957 (3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...) Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2OC(F)(F)F)c1 |w:8.8| Show InChI InChI=1S/C18H19F3N4O5S/c1-12-9-13(28-8-4-7-24-25-17(22)23)11-14(10-12)30-31(26,27)16-6-3-2-5-15(16)29-18(19,20)21/h2-3,5-7,9-11H,4,8H2,1H3,(H4,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070599 (2-Chloro-benzenesulfonic acid 3-(4-guanidino-butox...) Show SMILES Cc1cc(OCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C18H22ClN3O4S/c1-13-10-14(25-9-5-4-8-22-18(20)21)12-15(11-13)26-27(23,24)17-7-3-2-6-16(17)19/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H4,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate				Bioorg Med Chem Lett 8: 1595-600 (1999) BindingDB Entry DOI: 10.7270/Q20864GK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070599 (2-Chloro-benzenesulfonic acid 3-(4-guanidino-butox...) Show SMILES Cc1cc(OCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C18H22ClN3O4S/c1-13-10-14(25-9-5-4-8-22-18(20)21)12-15(11-13)26-27(23,24)17-7-3-2-6-16(17)19/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H4,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Thrombin				Bioorg Med Chem Lett 10: 83-5 (2000) BindingDB Entry DOI: 10.7270/Q2BR8RDT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084068 (2-Trifluoromethyl-benzenesulfonic acid 3-(1-carbam...) Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C21H24F3N3O4S/c1-14-10-16(30-13-15-6-8-27(9-7-15)20(25)26)12-17(11-14)31-32(28,29)19-5-3-2-4-18(19)21(22,23)24/h2-5,10-12,15H,6-9,13H2,1H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084080 (2-Nitro-benzenesulfonic acid 3-(1-carbamimidoyl-pi...) Show SMILES Cc1cc(OCC2CC[N+](CC2)=C(N)[NH-])cc(OS(=O)(=O)c2ccccc2[N+]([O-])=O)c1 |(5.12,-3.95,;5.58,-5.42,;7.08,-5.77,;7.52,-7.26,;9.03,-7.59,;10.08,-6.49,;11.58,-6.84,;12.02,-8.31,;13.51,-8.66,;14.57,-7.56,;14.12,-6.07,;12.63,-5.72,;16.06,-7.92,;17.13,-6.8,;16.5,-9.39,;6.47,-8.38,;4.98,-8.01,;3.92,-9.13,;2.43,-8.78,;1.08,-8.01,;3.18,-7.45,;1.36,-9.9,;-.13,-9.55,;-1.18,-10.67,;-.75,-12.16,;.75,-12.51,;1.8,-11.39,;3.31,-11.74,;3.74,-13.21,;4.37,-10.62,;4.53,-6.56,)| Show InChI InChI=1S/C20H24N4O6S/c1-14-10-16(29-13-15-6-8-23(9-7-15)20(21)22)12-17(11-14)30-31(27,28)19-5-3-2-4-18(19)24(25)26/h2-5,10-12,15H,6-9,13H2,1H3,(H3,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083972 (3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...) Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1 |w:8.8| Show InChI InChI=1S/C18H22N4O6S2/c1-13-10-14(27-9-5-8-21-22-18(19)20)12-15(11-13)28-30(25,26)17-7-4-3-6-16(17)29(2,23)24/h3-4,6-8,10-12H,5,9H2,1-2H3,(H4,19,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084078 (2,3-Dichloro-benzenesulfonic acid 3-(1-carbamimido...) Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1 Show InChI InChI=1S/C20H23Cl2N3O4S/c1-13-9-15(28-12-14-5-7-25(8-6-14)20(23)24)11-16(10-13)29-30(26,27)18-4-2-3-17(21)19(18)22/h2-4,9-11,14H,5-8,12H2,1H3,(H3,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084070 (2-[3-(1-Carbamimidoyl-piperidin-4-ylmethoxy)-5-met...) Show SMILES COC(=O)c1ccccc1S(=O)(=O)Oc1cc(C)cc(OCC2CCN(CC2)C(N)=N)c1 Show InChI InChI=1S/C22H27N3O6S/c1-15-11-17(30-14-16-7-9-25(10-8-16)22(23)24)13-18(12-15)31-32(27,28)20-6-4-3-5-19(20)21(26)29-2/h3-6,11-13,16H,7-10,14H2,1-2H3,(H3,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084074 (2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...) Show SMILES NC(=N)N1CCC(COc2cc(Cl)cc(OS(=O)(=O)c3ccccc3Cl)c2)CC1 Show InChI InChI=1S/C19H21Cl2N3O4S/c20-14-9-15(27-12-13-5-7-24(8-6-13)19(22)23)11-16(10-14)28-29(25,26)18-4-2-1-3-17(18)21/h1-4,9-11,13H,5-8,12H2,(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084077 (3-Amino-benzenesulfonic acid 3-(1-carbamimidoyl-pi...) Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2cccc(N)c2)c1 Show InChI InChI=1S/C20H26N4O4S/c1-14-9-17(27-13-15-5-7-24(8-6-15)20(22)23)12-18(10-14)28-29(25,26)19-4-2-3-16(21)11-19/h2-4,9-12,15H,5-8,13,21H2,1H3,(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084069 (Benzenesulfonic acid 3-(1-carbamimidoyl-piperidin-...) Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C20H25N3O4S/c1-15-11-17(26-14-16-7-9-23(10-8-16)20(21)22)13-18(12-15)27-28(24,25)19-5-3-2-4-6-19/h2-6,11-13,16H,7-10,14H2,1H3,(H3,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070598 (2-Chloro-benzenesulfonic acid 3-(3-guanidino-propo...) Show SMILES Cc1cc(OCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C17H20ClN3O4S/c1-12-9-13(24-8-4-7-21-17(19)20)11-14(10-12)25-26(22,23)16-6-3-2-5-15(16)18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H4,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate				Bioorg Med Chem Lett 8: 1595-600 (1999) BindingDB Entry DOI: 10.7270/Q20864GK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084079 (CHEMBL423830 | Naphthalene-1-sulfonic acid 3-(1-ca...) Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2cccc3ccccc23)c1 Show InChI InChI=1S/C24H27N3O4S/c1-17-13-20(30-16-18-9-11-27(12-10-18)24(25)26)15-21(14-17)31-32(28,29)23-8-4-6-19-5-2-3-7-22(19)23/h2-8,13-15,18H,9-12,16H2,1H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083956 (3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...) Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccnc2)c1 |w:8.8| Show InChI InChI=1S/C16H19N5O4S/c1-12-8-13(24-7-3-6-20-21-16(17)18)10-14(9-12)25-26(22,23)15-4-2-5-19-11-15/h2,4-6,8-11H,3,7H2,1H3,(H4,17,18,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084081 (CHEMBL166437 | Toluene-3-sulfonic acid 3-(1-carbam...) Show SMILES Cc1cccc(c1)S(=O)(=O)Oc1cc(C)cc(OCC2CCN(CC2)C(N)=N)c1 Show InChI InChI=1S/C21H27N3O4S/c1-15-4-3-5-20(12-15)29(25,26)28-19-11-16(2)10-18(13-19)27-14-17-6-8-24(9-7-17)21(22)23/h3-5,10-13,17H,6-9,14H2,1-2H3,(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084067 (2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...) Show SMILES CCc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C21H26ClN3O4S/c1-2-15-11-17(28-14-16-7-9-25(10-8-16)21(23)24)13-18(12-15)29-30(26,27)20-6-4-3-5-19(20)22/h3-6,11-13,16H,2,7-10,14H2,1H3,(H3,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084075 (3-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...) Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C20H24ClN3O4S/c1-14-9-17(27-13-15-5-7-24(8-6-15)20(22)23)12-18(10-14)28-29(25,26)19-4-2-3-16(21)11-19/h2-4,9-12,15H,5-8,13H2,1H3,(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083960 ((2E)-2-({1-[(3-(2-cyanobenzenesulfonate)-5-methylp...) Show SMILES Cc1cc(OCC2(CC2)C=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2C#N)c1 |w:10.11| Show InChI InChI=1S/C20H21N5O4S/c1-14-8-16(28-13-20(6-7-20)12-24-25-19(22)23)10-17(9-14)29-30(26,27)18-5-3-2-4-15(18)11-21/h2-5,8-10,12H,6-7,13H2,1H3,(H4,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083962 (3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...) Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccc3ccccc23)c1 |w:8.8| Show InChI InChI=1S/C21H22N4O4S/c1-15-12-17(28-11-5-10-24-25-21(22)23)14-18(13-15)29-30(26,27)20-9-4-7-16-6-2-3-8-19(16)20/h2-4,6-10,12-14H,5,11H2,1H3,(H4,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084085 (2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...) Show SMILES COc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C20H24ClN3O5S/c1-27-15-10-16(28-13-14-6-8-24(9-7-14)20(22)23)12-17(11-15)29-30(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,14H,6-9,13H2,1H3,(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084073 (2-Amino-benzenesulfonic acid 3-(1-carbamimidoyl-pi...) Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2N)c1 Show InChI InChI=1S/C20H26N4O4S/c1-14-10-16(27-13-15-6-8-24(9-7-15)20(22)23)12-17(11-14)28-29(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,15H,6-9,13,21H2,1H3,(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084086 (2-Chloro-benzenesulfonic acid 3-(5-carbamimidoyl-p...) Show SMILES Cc1cc(OCCCCCC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C19H23ClN2O4S/c1-14-11-15(25-10-6-2-3-9-19(21)22)13-16(12-14)26-27(23,24)18-8-5-4-7-17(18)20/h4-5,7-8,11-13H,2-3,6,9-10H2,1H3,(H3,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Thrombin				Bioorg Med Chem Lett 10: 83-5 (2000) BindingDB Entry DOI: 10.7270/Q2BR8RDT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070596 (CHEMBL282549 | N-Methyl-N-{3-[2-(pyridin-4-ylamino...) Show SMILES CN(c1cccc(OCCNc2ccncc2)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H21N3O3S/c1-23(27(24,25)20-8-3-2-4-9-20)18-6-5-7-19(16-18)26-15-14-22-17-10-12-21-13-11-17/h2-13,16H,14-15H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate				Bioorg Med Chem Lett 8: 1595-600 (1999) BindingDB Entry DOI: 10.7270/Q20864GK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084087 (2-Chloro-benzenesulfonic acid 3-(3-carbamimidoyl-b...) Show SMILES Cc1cc(OCc2cccc(c2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C21H19ClN2O4S/c1-14-9-17(27-13-15-5-4-6-16(11-15)21(23)24)12-18(10-14)28-29(25,26)20-8-3-2-7-19(20)22/h2-12H,13H2,1H3,(H3,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Thrombin				Bioorg Med Chem Lett 10: 83-5 (2000) BindingDB Entry DOI: 10.7270/Q2BR8RDT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084090 (2-Chloro-benzenesulfonic acid 3-(4-carbamimidoyl-b...) Show SMILES Cc1cc(OCc2ccc(cc2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C21H19ClN2O4S/c1-14-10-17(27-13-15-6-8-16(9-7-15)21(23)24)12-18(11-14)28-29(25,26)20-5-3-2-4-19(20)22/h2-12H,13H2,1H3,(H3,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Thrombin				Bioorg Med Chem Lett 10: 83-5 (2000) BindingDB Entry DOI: 10.7270/Q2BR8RDT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084082 (3-Nitro-benzenesulfonic acid 3-(1-carbamimidoyl-pi...) Show SMILES Cc1cc(OCC2CC[N+](CC2)=C(N)[NH-])cc(OS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c1 |(4.5,-3.85,;4.95,-5.32,;6.46,-5.67,;6.9,-7.14,;8.4,-7.49,;9.45,-6.37,;10.94,-6.72,;11.39,-8.21,;12.88,-8.56,;13.93,-7.45,;13.5,-5.97,;11.99,-5.6,;15.44,-7.8,;16.49,-6.68,;15.86,-9.28,;5.84,-8.26,;4.34,-7.9,;3.3,-9.02,;1.8,-8.67,;2.56,-7.33,;.47,-7.9,;.75,-9.79,;-.76,-9.44,;-1.81,-10.56,;-1.37,-12.04,;.12,-12.39,;1.19,-11.27,;.57,-13.87,;-.48,-14.99,;2.08,-14.23,;3.9,-6.44,)| Show InChI InChI=1S/C20H24N4O6S/c1-14-9-17(29-13-15-5-7-23(8-6-15)20(21)22)12-18(10-14)30-31(27,28)19-4-2-3-16(11-19)24(25)26/h2-4,9-12,15H,5-8,13H2,1H3,(H3,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084072 (2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...) Show SMILES NC(=N)N1CCC(COc2cccc(OS(=O)(=O)c3ccccc3Cl)c2)CC1 Show InChI InChI=1S/C19H22ClN3O4S/c20-17-6-1-2-7-18(17)28(24,25)27-16-5-3-4-15(12-16)26-13-14-8-10-23(11-9-14)19(21)22/h1-7,12,14H,8-11,13H2,(H3,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070595 (2-Chloro-benzenesulfonic acid 3-(5-guanidino-penty...) Show SMILES Cc1cc(OCCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C19H24ClN3O4S/c1-14-11-15(26-10-6-2-5-9-23-19(21)22)13-16(12-14)27-28(24,25)18-8-4-3-7-17(18)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate				Bioorg Med Chem Lett 8: 1595-600 (1999) BindingDB Entry DOI: 10.7270/Q20864GK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070600 (2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...) Show SMILES Cc1cc(OCC2CCCN(C2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C20H24ClN3O4S/c1-14-9-16(27-13-15-5-4-8-24(12-15)20(22)23)11-17(10-14)28-29(25,26)19-7-3-2-6-18(19)21/h2-3,6-7,9-11,15H,4-5,8,12-13H2,1H3,(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate				Bioorg Med Chem Lett 8: 1595-600 (1999) BindingDB Entry DOI: 10.7270/Q20864GK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084076 (4-Nitro-benzenesulfonic acid 3-(1-carbamimidoyl-pi...) Show SMILES Cc1cc(OCC2CC[N+](CC2)=C(N)[NH-])cc(OS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1 |(6.39,-.96,;6.84,-2.43,;8.35,-2.78,;8.79,-4.25,;10.29,-4.6,;11.34,-3.48,;12.83,-3.83,;13.28,-5.32,;14.77,-5.67,;15.82,-4.56,;15.39,-3.08,;13.88,-2.71,;17.33,-4.91,;18.38,-3.79,;17.75,-6.39,;7.73,-5.37,;6.23,-5.01,;5.19,-6.13,;3.69,-5.78,;4.44,-4.44,;2.36,-5.01,;2.64,-6.9,;1.13,-6.55,;.08,-7.67,;.52,-9.15,;2.01,-9.5,;3.08,-8.38,;-.54,-10.27,;-2.04,-9.91,;-.11,-11.74,;5.79,-3.55,)| Show InChI InChI=1S/C20H24N4O6S/c1-14-10-17(29-13-15-6-8-23(9-7-15)20(21)22)12-18(11-14)30-31(27,28)19-4-2-16(3-5-19)24(25)26/h2-5,10-12,15H,6-9,13H2,1H3,(H3,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	327	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084083 (4-Amino-benzenesulfonic acid 3-(1-carbamimidoyl-pi...) Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccc(N)cc2)c1 Show InChI InChI=1S/C20H26N4O4S/c1-14-10-17(27-13-15-6-8-24(9-7-15)20(22)23)12-18(11-14)28-29(25,26)19-4-2-16(21)3-5-19/h2-5,10-12,15H,6-9,13,21H2,1H3,(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	399	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083970 ((2E)-2-[3-(3-methyl-5-{[2-(trifluoromethyl)benzyl]...) Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OCc2ccccc2C(F)(F)F)c1 |w:8.8| Show InChI InChI=1S/C19H21F3N4O2/c1-13-9-15(27-8-4-7-25-26-18(23)24)11-16(10-13)28-12-14-5-2-3-6-17(14)19(20,21)22/h2-3,5-7,9-11H,4,8,12H2,1H3,(H4,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084084 (3-Trifluoromethyl-benzenesulfonic acid 3-(1-carbam...) Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C21H24F3N3O4S/c1-14-9-17(30-13-15-5-7-27(8-6-15)20(25)26)12-18(10-14)31-32(28,29)19-4-2-3-16(11-19)21(22,23)24/h2-4,9-12,15H,5-8,13H2,1H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	445	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084091 (2-Chloro-benzenesulfonic acid 3-(3-carbamimidoyl-p...) Show SMILES Cc1cc(OCCCC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C17H19ClN2O4S/c1-12-9-13(23-8-4-7-17(19)20)11-14(10-12)24-25(21,22)16-6-3-2-5-15(16)18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H3,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of Thrombin				Bioorg Med Chem Lett 10: 83-5 (2000) BindingDB Entry DOI: 10.7270/Q2BR8RDT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50084071 (2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...) Show SMILES NC(=N)N1CCC(COc2cc(CO)cc(OS(=O)(=O)c3ccccc3Cl)c2)CC1 Show InChI InChI=1S/C20H24ClN3O5S/c21-18-3-1-2-4-19(18)30(26,27)29-17-10-15(12-25)9-16(11-17)28-13-14-5-7-24(8-6-14)20(22)23/h1-4,9-11,14,25H,5-8,12-13H2,(H3,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceutical, Inc. Curated by ChEMBL					Assay Description Anti- Thrombin activity using standard chromogenic assay				Bioorg Med Chem Lett 10: 79-82 (2000) BindingDB Entry DOI: 10.7270/Q2GH9H6F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083959 (3-((4E)-4-{[(E)-amino(imino)methyl]hydrazono}butyl...) Show SMILES COc1cc(CCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 |w:9.9| Show InChI InChI=1S/C18H21ClN4O4S/c1-26-14-10-13(6-4-5-9-22-23-18(20)21)11-15(12-14)27-28(24,25)17-8-3-2-7-16(17)19/h2-3,7-12H,4-6H2,1H3,(H4,20,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083965 (3-[((2E)-2-{[(E)-amino(imino)methyl]hydrazono}ethy...) Show SMILES COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCC=NNC(N)=N)c1 |w:21.22| Show InChI InChI=1S/C17H20N4O5S/c1-12-9-13(25-8-7-20-21-17(18)19)11-14(10-12)26-27(22,23)16-6-4-3-5-15(16)24-2/h3-7,9-11H,8H2,1-2H3,(H4,18,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair

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