Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50002220   

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))	BDBM50455303 (CHEMBL4218956) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C66H93N13O25/c1-5-34(4)55(78-59(96)41(21-26-53(89)90)71-56(93)38(18-23-50(83)84)72-61(98)44(29-35-10-7-6-8-11-35)77-63(100)46(31-54(91)92)69-49(82)32-67)65(102)79-27-9-12-47(79)64(101)73-40(20-25-52(87)88)57(94)70-39(19-24-51(85)86)58(95)76-45(30-36-13-15-37(80)16-14-36)62(99)75-43(28-33(2)3)60(97)74-42(66(103)104)17-22-48(68)81/h6-8,10-11,13-16,33-34,38-47,55,80H,5,9,12,17-32,67H2,1-4H3,(H2,68,81)(H,69,82)(H,70,94)(H,71,93)(H,72,98)(H,73,101)(H,74,97)(H,75,99)(H,76,95)(H,77,100)(H,78,96)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,103,104)/t34-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,55+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using S-23666 as substrate measured after 1 min by fibrometric method				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455284 (CHEMBL4210645) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C33H32O13S/c1-5-40-32(34)30-19(3)44-23-17-27(42-13-12-20-10-8-7-9-11-20)26(14-21(23)30)43-18-29-31(33(35)41-6-2)22-15-28(46-47(36,37)38)25(39-4)16-24(22)45-29/h7-11,14-17H,5-6,12-13,18H2,1-4H3,(H,36,37,38)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in absence of exosite 2...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455284 (CHEMBL4210645) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C33H32O13S/c1-5-40-32(34)30-19(3)44-23-17-27(42-13-12-20-10-8-7-9-11-20)26(14-21(23)30)43-18-29-31(33(35)41-6-2)22-15-28(46-47(36,37)38)25(39-4)16-24(22)45-29/h7-11,14-17H,5-6,12-13,18H2,1-4H3,(H,36,37,38)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in absence of exosite 1...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455284 (CHEMBL4210645) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C33H32O13S/c1-5-40-32(34)30-19(3)44-23-17-27(42-13-12-20-10-8-7-9-11-20)26(14-21(23)30)43-18-29-31(33(35)41-6-2)22-15-28(46-47(36,37)38)25(39-4)16-24(22)45-29/h7-11,14-17H,5-6,12-13,18H2,1-4H3,(H,36,37,38)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 30 uM ex...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455284 (CHEMBL4210645) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C33H32O13S/c1-5-40-32(34)30-19(3)44-23-17-27(42-13-12-20-10-8-7-9-11-20)26(14-21(23)30)43-18-29-31(33(35)41-6-2)22-15-28(46-47(36,37)38)25(39-4)16-24(22)45-29/h7-11,14-17H,5-6,12-13,18H2,1-4H3,(H,36,37,38)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 15 uM ex...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455284 (CHEMBL4210645) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C33H32O13S/c1-5-40-32(34)30-19(3)44-23-17-27(42-13-12-20-10-8-7-9-11-20)26(14-21(23)30)43-18-29-31(33(35)41-6-2)22-15-28(46-47(36,37)38)25(39-4)16-24(22)45-29/h7-11,14-17H,5-6,12-13,18H2,1-4H3,(H,36,37,38)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455289 (CHEMBL4212514) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6]-[#6]-5-[#6]-[#6]-[#6]-[#6]-[#6]-5)c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C38H40O13S/c1-4-44-37(39)35-23(3)49-28-18-31(46-20-24-12-8-6-9-13-24)30(16-26(28)35)48-22-34-36(38(40)45-5-2)27-17-33(51-52(41,42)43)32(19-29(27)50-34)47-21-25-14-10-7-11-15-25/h6,8-9,12-13,16-19,25H,4-5,7,10-11,14-15,20-22H2,1-3H3,(H,41,42,43)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in absence of exosite 2...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455289 (CHEMBL4212514) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6]-[#6]-5-[#6]-[#6]-[#6]-[#6]-[#6]-5)c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C38H40O13S/c1-4-44-37(39)35-23(3)49-28-18-31(46-20-24-12-8-6-9-13-24)30(16-26(28)35)48-22-34-36(38(40)45-5-2)27-17-33(51-52(41,42)43)32(19-29(27)50-34)47-21-25-14-10-7-11-15-25/h6,8-9,12-13,16-19,25H,4-5,7,10-11,14-15,20-22H2,1-3H3,(H,41,42,43)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in absence of exosite 1...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455292 (CHEMBL4215598) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C32H30O13S/c1-5-39-31(33)29-18(3)43-22-15-26(41-16-19-10-8-7-9-11-19)25(12-20(22)29)42-17-28-30(32(34)40-6-2)21-13-27(45-46(35,36)37)24(38-4)14-23(21)44-28/h7-15H,5-6,16-17H2,1-4H3,(H,35,36,37)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455293 (CHEMBL4208688) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccc(-[#8]-[#6](-[#6])-[#6])cc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C35H36O14S/c1-7-42-34(36)32-20(5)47-25-16-29(44-17-21-9-11-22(12-10-21)46-19(3)4)28(13-23(25)32)45-18-31-33(35(37)43-8-2)24-14-30(49-50(38,39)40)27(41-6)15-26(24)48-31/h9-16,19H,7-8,17-18H2,1-6H3,(H,38,39,40)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455294 (CHEMBL4203810) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3cccc(-[#8]-[#6](-[#6])-[#6])c3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C35H36O14S/c1-7-42-34(36)32-20(5)47-25-16-29(44-17-21-10-9-11-22(12-21)46-19(3)4)28(13-23(25)32)45-18-31-33(35(37)43-8-2)24-14-30(49-50(38,39)40)27(41-6)15-26(24)48-31/h9-16,19H,7-8,17-18H2,1-6H3,(H,38,39,40)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455291 (CHEMBL4214824) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C32H36O13S/c1-5-39-31(33)29-18(3)43-22-15-26(41-16-19-10-8-7-9-11-19)25(12-20(22)29)42-17-28-30(32(34)40-6-2)21-13-27(45-46(35,36)37)24(38-4)14-23(21)44-28/h12-15,19H,5-11,16-17H2,1-4H3,(H,35,36,37)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455289 (CHEMBL4212514) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6]-[#6]-5-[#6]-[#6]-[#6]-[#6]-[#6]-5)c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C38H40O13S/c1-4-44-37(39)35-23(3)49-28-18-31(46-20-24-12-8-6-9-13-24)30(16-26(28)35)48-22-34-36(38(40)45-5-2)27-17-33(51-52(41,42)43)32(19-29(27)50-34)47-21-25-14-10-7-11-15-25/h6,8-9,12-13,16-19,25H,4-5,7,10-11,14-15,20-22H2,1-3H3,(H,41,42,43)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 5 uM exo...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455289 (CHEMBL4212514) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6]-[#6]-5-[#6]-[#6]-[#6]-[#6]-[#6]-5)c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C38H40O13S/c1-4-44-37(39)35-23(3)49-28-18-31(46-20-24-12-8-6-9-13-24)30(16-26(28)35)48-22-34-36(38(40)45-5-2)27-17-33(51-52(41,42)43)32(19-29(27)50-34)47-21-25-14-10-7-11-15-25/h6,8-9,12-13,16-19,25H,4-5,7,10-11,14-15,20-22H2,1-3H3,(H,41,42,43)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 50 uM ex...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455285 (CHEMBL4207062) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6]-[#8]-c2cc3c(-[#6](=O)-[#8]-[#6]-c4ccc(-[#8]-[#6]-[#8]-[#6])cc4)c(-[#6])oc3cc2-[#8]-[#6])oc2cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc12 Show InChI InChI=1S/C33H32O15S/c1-6-42-33(35)31-22-12-28(48-49(36,37)38)26(41-5)14-24(22)47-29(31)16-43-27-11-21-23(13-25(27)40-4)46-18(2)30(21)32(34)44-15-19-7-9-20(10-8-19)45-17-39-3/h7-14H,6,15-17H2,1-5H3,(H,36,37,38)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455284 (CHEMBL4210645) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C33H32O13S/c1-5-40-32(34)30-19(3)44-23-17-27(42-13-12-20-10-8-7-9-11-20)26(14-21(23)30)43-18-29-31(33(35)41-6-2)22-15-28(46-47(36,37)38)25(39-4)16-24(22)45-29/h7-11,14-17H,5-6,12-13,18H2,1-4H3,(H,36,37,38)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 5 uM exo...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455289 (CHEMBL4212514) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6]-[#6]-5-[#6]-[#6]-[#6]-[#6]-[#6]-5)c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C38H40O13S/c1-4-44-37(39)35-23(3)49-28-18-31(46-20-24-12-8-6-9-13-24)30(16-26(28)35)48-22-34-36(38(40)45-5-2)27-17-33(51-52(41,42)43)32(19-29(27)50-34)47-21-25-14-10-7-11-15-25/h6,8-9,12-13,16-19,25H,4-5,7,10-11,14-15,20-22H2,1-3H3,(H,41,42,43)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 10 uM ex...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455289 (CHEMBL4212514) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6]-[#6]-5-[#6]-[#6]-[#6]-[#6]-[#6]-5)c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C38H40O13S/c1-4-44-37(39)35-23(3)49-28-18-31(46-20-24-12-8-6-9-13-24)30(16-26(28)35)48-22-34-36(38(40)45-5-2)27-17-33(51-52(41,42)43)32(19-29(27)50-34)47-21-25-14-10-7-11-15-25/h6,8-9,12-13,16-19,25H,4-5,7,10-11,14-15,20-22H2,1-3H3,(H,41,42,43)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 20 uM ex...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455289 (CHEMBL4212514) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6]-[#6]-5-[#6]-[#6]-[#6]-[#6]-[#6]-5)c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C38H40O13S/c1-4-44-37(39)35-23(3)49-28-18-31(46-20-24-12-8-6-9-13-24)30(16-26(28)35)48-22-34-36(38(40)45-5-2)27-17-33(51-52(41,42)43)32(19-29(27)50-34)47-21-25-14-10-7-11-15-25/h6,8-9,12-13,16-19,25H,4-5,7,10-11,14-15,20-22H2,1-3H3,(H,41,42,43)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 30 uM ex...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455297 (CHEMBL4218791) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6]-[#8]-c2cc3c(-[#6](=O)-[#8]-[#6]-[#6]-c4ccccc4)c(-[#6])oc3cc2-[#8]-[#6])oc2cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc12 Show InChI InChI=1S/C32H30O13S/c1-5-40-32(34)30-21-14-27(45-46(35,36)37)25(39-4)16-23(21)44-28(30)17-42-26-13-20-22(15-24(26)38-3)43-18(2)29(20)31(33)41-12-11-19-9-7-6-8-10-19/h6-10,13-16H,5,11-12,17H2,1-4H3,(H,35,36,37)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455284 (CHEMBL4210645) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C33H32O13S/c1-5-40-32(34)30-19(3)44-23-17-27(42-13-12-20-10-8-7-9-11-20)26(14-21(23)30)43-18-29-31(33(35)41-6-2)22-15-28(46-47(36,37)38)25(39-4)16-24(22)45-29/h7-11,14-17H,5-6,12-13,18H2,1-4H3,(H,36,37,38)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 10 uM ex...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455308 (CHEMBL4203401) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccc(-[#8]-[#6]-[#8]-[#6])cc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C34H34O15S/c1-6-42-33(35)31-19(3)47-24-15-28(44-16-20-8-10-21(11-9-20)46-18-40-4)27(12-22(24)31)45-17-30-32(34(36)43-7-2)23-13-29(49-50(37,38)39)26(41-5)14-25(23)48-30/h8-15H,6-7,16-18H2,1-5H3,(H,37,38,39)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455284 (CHEMBL4210645) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C33H32O13S/c1-5-40-32(34)30-19(3)44-23-17-27(42-13-12-20-10-8-7-9-11-20)26(14-21(23)30)43-18-29-31(33(35)41-6-2)22-15-28(46-47(36,37)38)25(39-4)16-24(22)45-29/h7-11,14-17H,5-6,12-13,18H2,1-4H3,(H,36,37,38)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 20 uM ex...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455289 (CHEMBL4212514) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6]-[#6]-5-[#6]-[#6]-[#6]-[#6]-[#6]-5)c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C38H40O13S/c1-4-44-37(39)35-23(3)49-28-18-31(46-20-24-12-8-6-9-13-24)30(16-26(28)35)48-22-34-36(38(40)45-5-2)27-17-33(51-52(41,42)43)32(19-29(27)50-34)47-21-25-14-10-7-11-15-25/h6,8-9,12-13,16-19,25H,4-5,7,10-11,14-15,20-22H2,1-3H3,(H,41,42,43)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 15 uM ex...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455289 (CHEMBL4212514) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6]-[#6]-5-[#6]-[#6]-[#6]-[#6]-[#6]-5)c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C38H40O13S/c1-4-44-37(39)35-23(3)49-28-18-31(46-20-24-12-8-6-9-13-24)30(16-26(28)35)48-22-34-36(38(40)45-5-2)27-17-33(51-52(41,42)43)32(19-29(27)50-34)47-21-25-14-10-7-11-15-25/h6,8-9,12-13,16-19,25H,4-5,7,10-11,14-15,20-22H2,1-3H3,(H,41,42,43)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455295 (CHEMBL4214371) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6])c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6]-[#6]-5-[#6]-[#6]-[#6]-[#6]-[#6]-5)c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C32H36O13S/c1-5-39-31(33)29-18(3)43-22-14-24(38-4)25(12-20(22)29)42-17-28-30(32(34)40-6-2)21-13-27(45-46(35,36)37)26(15-23(21)44-28)41-16-19-10-8-7-9-11-19/h12-15,19H,5-11,16-17H2,1-4H3,(H,35,36,37)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455307 (CHEMBL4215073) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3cccc(-[#8]-[#6]-[#8]-[#6])c3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C34H34O15S/c1-6-42-33(35)31-19(3)47-24-15-28(44-16-20-9-8-10-21(11-20)46-18-40-4)27(12-22(24)31)45-17-30-32(34(36)43-7-2)23-13-29(49-50(37,38)39)26(41-5)14-25(23)48-30/h8-15H,6-7,16-18H2,1-5H3,(H,37,38,39)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455296 (CHEMBL4202710) Show SMILES [Na;v0+].[#6]-[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6]-[#8]-c2cc3c(-[#6](=O)-[#8]-[#6]-c4ccccc4)c(-[#6])oc3cc2-[#8]-[#6])oc2cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc12 Show InChI InChI=1S/C32H30O13S/c1-5-11-40-32(34)30-21-13-27(45-46(35,36)37)25(39-4)15-23(21)44-28(30)17-41-26-12-20-22(14-24(26)38-3)43-18(2)29(20)31(33)42-16-19-9-7-6-8-10-19/h6-10,12-15H,5,11,16-17H2,1-4H3,(H,35,36,37)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455309 (CHEMBL4214712) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6]-[#6]-5-[#6]-[#6]-[#6]-[#6]-[#6]-5)c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C38H46O13S/c1-4-44-37(39)35-23(3)49-28-18-31(46-20-24-12-8-6-9-13-24)30(16-26(28)35)48-22-34-36(38(40)45-5-2)27-17-33(51-52(41,42)43)32(19-29(27)50-34)47-21-25-14-10-7-11-15-25/h16-19,24-25H,4-15,20-22H2,1-3H3,(H,41,42,43)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455287 (CHEMBL4206540) Show SMILES [Na;v0+].[Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6]-[#8]S([#8-])(=O)=O)cc12 Show InChI InChI=1S/C32H30O17S2/c1-4-42-31(33)29-18(2)47-22-15-26(44-16-19-8-6-5-7-9-19)25(12-20(22)29)45-17-28-30(32(34)43-10-11-46-50(35,36)37)21-13-27(49-51(38,39)40)24(41-3)14-23(21)48-28/h5-9,12-15H,4,10-11,16-17H2,1-3H3,(H,35,36,37)(H,38,39,40)/p-2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455284 (CHEMBL4210645) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C33H32O13S/c1-5-40-32(34)30-19(3)44-23-17-27(42-13-12-20-10-8-7-9-11-20)26(14-21(23)30)43-18-29-31(33(35)41-6-2)22-15-28(46-47(36,37)38)25(39-4)16-24(22)45-29/h7-11,14-17H,5-6,12-13,18H2,1-4H3,(H,36,37,38)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 50 uM ex...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455313 (CHEMBL4217251) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C93H130N20O37/c1-43(2)32-57(82(138)107-62(35-48-15-19-51(117)20-16-48)91(147)113-31-9-12-67(113)89(145)100-54(22-26-69(120)121)78(134)104-59(37-72(126)127)84(140)106-60(38-73(128)129)85(141)109-64(93(149)150)33-44(3)4)102-87(143)65(41-114)110-86(142)61(39-74(130)131)105-83(139)58(34-47-13-17-50(116)18-14-47)103-79(135)55(23-27-70(122)123)101-90(146)75(46(6)115)111-81(137)56(24-28-71(124)125)98-76(132)45(5)97-88(144)66-11-8-30-112(66)92(148)63(36-49-40-94-42-96-49)108-80(136)53(21-25-68(118)119)99-77(133)52-10-7-29-95-52/h13-20,40,42-46,52-67,75,95,114-117H,7-12,21-39,41H2,1-6H3,(H,94,96)(H,97,144)(H,98,132)(H,99,133)(H,100,145)(H,101,146)(H,102,143)(H,103,135)(H,104,134)(H,105,139)(H,106,140)(H,107,138)(H,108,136)(H,109,141)(H,110,142)(H,111,137)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,149,150)/t45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,75-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using S-23666 as substrate measured after 1 min by fibrometric method				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455298 (CHEMBL4208441) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6])c(-[#8]-[#6]-c3cccc(c3)S([#8-])(=O)=O)cc12 Show InChI InChI=1S/C20H20O8S/c1-4-26-20(21)19-12(2)28-16-10-17(25-3)18(9-15(16)19)27-11-13-6-5-7-14(8-13)29(22,23)24/h5-10H,4,11H2,1-3H3,(H,22,23,24)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.34E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455290 (CHEMBL4218199) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccccc3)c(-[#8]S([#8-])(=O)=O)cc12 Show InChI InChI=1S/C19H18O8S/c1-3-24-19(20)18-12(2)26-15-10-16(25-11-13-7-5-4-6-8-13)17(9-14(15)18)27-28(21,22)23/h4-10H,3,11H2,1-2H3,(H,21,22,23)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.34E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455302 (CHEMBL4214557) Show SMILES [Na;v0+].[#6]-[#8]-c1cc2oc(-[#6])c(-[#6](=O)-[#8]-[#6]-c3ccccc3)c2cc1-[#8]S([#8-])(=O)=O Show InChI InChI=1S/C18H16O8S/c1-11-17(18(19)24-10-12-6-4-3-5-7-12)13-8-16(26-27(20,21)22)15(23-2)9-14(13)25-11/h3-9H,10H2,1-2H3,(H,20,21,22)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.68E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455312 (CHEMBL4217769) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3cccc(-[#8]-[#6]-[#8]-[#6])c3)c(-[#8]S([#8-])(=O)=O)cc12 Show InChI InChI=1S/C21H22O10S/c1-4-27-21(22)20-13(2)30-17-10-18(19(9-16(17)20)31-32(23,24)25)28-11-14-6-5-7-15(8-14)29-12-26-3/h5-10H,4,11-12H2,1-3H3,(H,23,24,25)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.29E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455310 (CHEMBL4211424) Show SMILES [Na;v0+].[Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-c3cccc(-[#8]S([#8-])(=O)=O)c3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C31H28O17S2/c1-5-41-30(32)28-16(3)44-21-14-25(45-17-8-7-9-18(10-17)47-49(34,35)36)24(11-19(21)28)43-15-27-29(31(33)42-6-2)20-12-26(48-50(37,38)39)23(40-4)13-22(20)46-27/h7-14H,5-6,15H2,1-4H3,(H,34,35,36)(H,37,38,39)/p-2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455304 (CHEMBL4209061) Show SMILES [Na;v0+].[Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]S([#8-])(=O)=O)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C25H24O16S2/c1-5-35-24(26)22-12(3)38-15-10-20(41-43(31,32)33)18(7-13(15)22)37-11-21-23(25(27)36-6-2)14-8-19(40-42(28,29)30)17(34-4)9-16(14)39-21/h7-10H,5-6,11H2,1-4H3,(H,28,29,30)(H,31,32,33)/p-2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455311 (CHEMBL4212825) Show SMILES [Na;v0+].[Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3cccc(-[#8]S([#8-])(=O)=O)c3)c(-[#8]S([#8-])(=O)=O)cc12 Show InChI InChI=1S/C19H18O12S2/c1-3-27-19(20)18-11(2)29-15-9-16(17(8-14(15)18)31-33(24,25)26)28-10-12-5-4-6-13(7-12)30-32(21,22)23/h4-9H,3,10H2,1-2H3,(H,21,22,23)(H,24,25,26)/p-2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455286 (CHEMBL4207916) Show SMILES [Na;v0+].[Na;v0+].[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3cccc(-[#8]S([#8-])(=O)=O)c3)c(-[#8]-[#6]-c3cccc(c3)S([#8-])(=O)=O)cc12 Show InChI InChI=1S/C25H22O12S2/c1-15-24(25(26)33-2)20-11-22(34-14-17-6-4-8-19(10-17)38(27,28)29)23(12-21(20)36-15)35-13-16-5-3-7-18(9-16)37-39(30,31)32/h3-12H,13-14H2,1-2H3,(H,27,28,29)(H,30,31,32)/p-2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455306 (CHEMBL4202894) Show SMILES [Na;v0+].[Na;v0+].[#6]-[#8]-c1cc2oc(-[#6])c(-[#6](=O)-[#8]-[#6]-[#6]-[#8]S([#8-])(=O)=O)c2cc1-[#8]S([#8-])(=O)=O Show InChI InChI=1S/C13H14O12S2/c1-7-12(13(14)22-3-4-23-26(15,16)17)8-5-11(25-27(18,19)20)10(21-2)6-9(8)24-7/h5-6H,3-4H2,1-2H3,(H,15,16,17)(H,18,19,20)/p-2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455301 (CHEMBL4207245) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccc(-[#8]-[#6](-[#6])-[#6])cc3)c(-[#8]S([#8-])(=O)=O)cc12 Show InChI InChI=1S/C22H24O9S/c1-5-27-22(23)21-14(4)30-18-11-19(20(10-17(18)21)31-32(24,25)26)28-12-15-6-8-16(9-7-15)29-13(2)3/h6-11,13H,5,12H2,1-4H3,(H,24,25,26)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455299 (CHEMBL4203558) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3cccc(c3)S([#8-])(=O)=O)cc12 Show InChI InChI=1S/C26H24O8S/c1-3-31-26(27)25-17(2)34-22-14-24(32-15-18-8-5-4-6-9-18)23(13-21(22)25)33-16-19-10-7-11-20(12-19)35(28,29)30/h4-14H,3,15-16H2,1-2H3,(H,28,29,30)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455300 (CHEMBL4215768) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)c(-[#8]S([#8-])(=O)=O)cc12 Show InChI InChI=1S/C19H24O8S/c1-3-24-19(20)18-12(2)26-15-10-16(25-11-13-7-5-4-6-8-13)17(9-14(15)18)27-28(21,22)23/h9-10,13H,3-8,11H2,1-2H3,(H,21,22,23)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455305 (CHEMBL4204101) Show SMILES [Na;v0+].[Na;v0+].[#6]-c1oc2cc(-[#8]-[#6]-c3ccccc3)c(-[#8]S([#8-])(=O)=O)cc2c1-[#6](-[#8-])=O Show InChI InChI=1S/C17H14O8S/c1-10-16(17(18)19)12-7-15(25-26(20,21)22)14(8-13(12)24-10)23-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19)(H,20,21,22)/p-2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455288 (CHEMBL4218970) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3cccc(-[#8]-[#6](-[#6])-[#6])c3)c(-[#8]S([#8-])(=O)=O)cc12 Show InChI InChI=1S/C22H24O9S/c1-5-27-22(23)21-14(4)30-18-11-19(20(10-17(18)21)31-32(24,25)26)28-12-15-7-6-8-16(9-15)29-13(2)3/h6-11,13H,5,12H2,1-4H3,(H,24,25,26)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50350218 (CHEMBL1812005) Show SMILES CCOC(=O)c1c(C)oc2cc(OC(=O)c3ccc(OC)cc3)c(OS([O-])(=O)=O)cc12 Show InChI InChI=1S/C20H18O10S/c1-4-27-20(22)18-11(2)28-15-10-16(17(9-14(15)18)30-31(23,24)25)29-19(21)12-5-7-13(26-3)8-6-12/h5-10H,4H2,1-3H3,(H,23,24,25)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455289 (CHEMBL4212514) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6]-[#6]-5-[#6]-[#6]-[#6]-[#6]-[#6]-5)c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C38H40O13S/c1-4-44-37(39)35-23(3)49-28-18-31(46-20-24-12-8-6-9-13-24)30(16-26(28)35)48-22-34-36(38(40)45-5-2)27-17-33(51-52(41,42)43)32(19-29(27)50-34)47-21-25-14-10-7-11-15-25/h6,8-9,12-13,16-19,25H,4-5,7,10-11,14-15,20-22H2,1-3H3,(H,41,42,43)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human fluorescence labelled FPRCK-alpha thrombin by fluorimetric method				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455284 (CHEMBL4210645) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C33H32O13S/c1-5-40-32(34)30-19(3)44-23-17-27(42-13-12-20-10-8-7-9-11-20)26(14-21(23)30)43-18-29-31(33(35)41-6-2)22-15-28(46-47(36,37)38)25(39-4)16-24(22)45-29/h7-11,14-17H,5-6,12-13,18H2,1-4H3,(H,36,37,38)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to wild-type thrombin (unknown origin) by intrinsic fluorescence method				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50455284 (CHEMBL4210645) Show SMILES [Na;v0+].[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2cc(-[#8]-[#6]-[#6]-c3ccccc3)c(-[#8]-[#6]-c3oc4cc(-[#8]-[#6])c(-[#8]S([#8-])(=O)=O)cc4c3-[#6](=O)-[#8]-[#6]-[#6])cc12 Show InChI InChI=1S/C33H32O13S/c1-5-40-32(34)30-19(3)44-23-17-27(42-13-12-20-10-8-7-9-11-20)26(14-21(23)30)43-18-29-31(33(35)41-6-2)22-15-28(46-47(36,37)38)25(39-4)16-24(22)45-29/h7-11,14-17H,5-6,12-13,18H2,1-4H3,(H,36,37,38)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to human fluorescence labelled FPRCK-alpha thrombin by fluorimetric method				Bioorg Med Chem Lett 28: 1101-1105 (2018) Article DOI: 10.1016/j.bmcl.2018.01.069 BindingDB Entry DOI: 10.7270/Q2SF2ZRF
					More data for this Ligand-Target Pair