Found 80 hits with Last Name = 'boothello' and Initial = 'rs' 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)) | 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)) | 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 | 1.50E+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)) | 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)) | 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)) | 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 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)) | 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 | 2.70E+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)) | 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 | 2.80E+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)) | 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 | 3.30E+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)) | 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
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 | 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)) | 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 | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612136
(CHEMBL5271926)Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(cc1)-c1nc2ccccc2c(=O)n1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1c(nc2ccccc2c1=O)-c1ccc(-[#8]S([#8-])(=O)=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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 | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612138
(CHEMBL5283360)Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(cc1)-c1nc2ccccc2c(=O)n1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1c(nc2ccccc2c1=O)-c1ccc(-[#8]S([#8-])(=O)=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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 | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612137
(CHEMBL5288069)Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(cc1)-c1nc2ccccc2c(=O)n1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1c(nc2ccccc2c1=O)-c1ccc(-[#8]S([#8-])(=O)=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612135
(CHEMBL5285595)Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(cc1)-c1nc2ccccc2c(=O)n1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1c(nc2ccccc2c1=O)-c1ccc(-[#8]S([#8-])(=O)=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612142
(CHEMBL4463760)Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(cc1)-c1nc2ccccc2c(=O)n1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1cc(-[#6]-n2c(nc3ccccc3c2=O)-c2ccc(-[#8]S([#8-])(=O)=O)cc2)nn1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612134
(CHEMBL5270082)Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(cc1)-c1nc2ccccc2c(=O)n1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1c(nc2ccccc2c1=O)-c1ccc(-[#8]S([#8-])(=O)=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612143
(CHEMBL4574448)Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(cc1)-c1nc2ccccc2c(=O)n1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1cc(-[#6]-n2c(nc3ccccc3c2=O)-c2ccc(-[#8]S([#8-])(=O)=O)cc2)nn1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612141
(CHEMBL4470825)Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(cc1)-c1nc2ccccc2c(=O)n1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1cc(-[#6]-n2c(nc3ccccc3c2=O)-c2ccc(-[#8]S([#8-])(=O)=O)cc2)nn1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612132
(CHEMBL5284215)Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(cc1)-c1nc2ccccc2c(=O)n1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1c(nc2ccccc2c1=O)-c1ccc(-[#8]S([#8-])(=O)=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612144
(CHEMBL4445340)Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(cc1)-c1nc2ccccc2c(=O)n1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1cc(-[#6]-n2c(nc3ccccc3c2=O)-c2ccc(-[#8]S([#8-])(=O)=O)cc2)nn1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612133
(CHEMBL5267635)Show SMILES [Na;v0+].[Na;v0+].[#6]-[#8]-c1ccc2nc(-c3ccc(-[#8]S([#8-])(=O)=O)cc3)n(-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n3c(nc4ccc(-[#8]-[#6])cc4c3=O)-c3ccc(-[#8]S([#8-])(=O)=O)cc3)c(=O)c2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612146
(CHEMBL5279853)Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(cc1)-c1nc2ccccc2c(=O)n1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1cc(-[#6]-[#8]-c2cc(-[#8]S([#8-])(=O)=O)cc3oc(-c4ccc(-[#8]S([#8-])(=O)=O)c(-[#8]S([#8-])(=O)=O)c4)c(-[#8]S([#8-])(=O)=O)c(=O)c23)nn1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612140
(CHEMBL4551546)Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(cc1)-c1nc2ccccc2c(=O)n1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1cc(-[#6]-n2c(nc3ccccc3c2=O)-c2ccc(-[#8]S([#8-])(=O)=O)cc2)nn1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612129
(CHEMBL5288330)Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(cc1)-c1nc2ccccc2c(=O)n1-[#6]-[#6]-[#6]-[#6]-[#6]-n1c(nc2ccccc2c1=O)-c1ccc(-[#8]S([#8-])(=O)=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612147
(CHEMBL5290454)Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(cc1)-c1nc2ccccc2c(=O)n1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1cc(-[#6]-[#8]-c2cc(-[#8]S([#8-])(=O)=O)cc3oc(-c4ccc(-[#8]S([#8-])(=O)=O)c(-[#8]S([#8-])(=O)=O)c4)c(-[#8]S([#8-])(=O)=O)c(=O)c23)nn1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612139
(CHEMBL4449340)Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(cc1)-c1nc2ccccc2c(=O)n1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1cc(-[#6]-n2c(nc3ccccc3c2=O)-c2ccc(-[#8]S([#8-])(=O)=O)cc2)nn1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612131
(CHEMBL5288815)Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1cccc(c1)-c1nc2ccccc2c(=O)n1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1c(nc2ccccc2c1=O)-c1cccc(-[#8]S([#8-])(=O)=O)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612126
(CHEMBL5268824)Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1ccc(cc1)-c1nc2ccccc2c(=O)n1-[#6]-c1ccccc1-[#6]-n1c(nc2ccccc2c1=O)-c1ccc(-[#8]S([#8-])(=O)=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50612122
(CHEMBL5291231)Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1cccc(c1)-c1nc2ccccc2c(=O)n1-[#6]-c1cccc(-[#6]-n2c(nc3ccccc3c2=O)-c2cccc(-[#8]S([#8-])(=O)=O)c2)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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