Found 354 hits with Last Name = 'zheng' and Initial = 'jj' 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 |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50230326
![PNG](/data/jpeg/tenK5023/BindingDB_50230326.png) (CHEMBL4060950)Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:18| Show InChI InChI=1S/C28H25Cl2N9O4/c1-43-28(42)32-18-9-10-19-21(14-18)34-23(40)6-4-2-3-5-20(27-35-25(19)26(30)36-27)33-24(41)12-7-16-13-17(29)8-11-22(16)39-15-31-37-38-39/h2-3,7-15,20H,4-6H2,1H3,(H,32,42)(H,33,41)(H,34,40)(H,35,36)/b3-2+,12-7+/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method |
J Med Chem 60: 1060-1075 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01460 BindingDB Entry DOI: 10.7270/Q25D8V31 |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50230326
![PNG](/data/jpeg/tenK5023/BindingDB_50230326.png) (CHEMBL4060950)Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:18| Show InChI InChI=1S/C28H25Cl2N9O4/c1-43-28(42)32-18-9-10-19-21(14-18)34-23(40)6-4-2-3-5-20(27-35-25(19)26(30)36-27)33-24(41)12-7-16-13-17(29)8-11-22(16)39-15-31-37-38-39/h2-3,7-15,20H,4-6H2,1H3,(H,32,42)(H,33,41)(H,34,40)(H,35,36)/b3-2+,12-7+/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 27: 3833-3839 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.058 BindingDB Entry DOI: 10.7270/Q2GT5QPS |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50096792
![PNG](/data/jpeg/tenK5009/BindingDB_50096792.png) (CHEMBL3580759)Show SMILES CN1CCN(CC1)C(=O)C[C@H](NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)c1nc(c(Cl)[nH]1)-c1ccc2[nH]c(=O)cc(O)c2c1 |r| Show InChI InChI=1S/C30H26Cl2N10O4/c1-40-8-10-41(11-9-40)27(46)14-22(35-25(44)7-3-17-12-19(31)4-6-23(17)42-16-33-38-39-42)30-36-28(29(32)37-30)18-2-5-21-20(13-18)24(43)15-26(45)34-21/h2-7,12-13,15-16,22,43H,8-11,14H2,1H3,(H,35,44)/b7-3+,28-18-/t22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometry |
ACS Med Chem Lett 6: 590-5 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50269207
![PNG](/data/jpeg/tenK5026/BindingDB_50269207.png) (CHEMBL4097522)Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCC[C@H](C)CC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C29H29Cl2N9O4/c1-16-4-3-5-21(34-24(41)11-6-17-13-18(30)7-10-23(17)40-15-32-38-39-40)28-36-26(27(31)37-28)20-9-8-19(33-29(43)44-2)14-22(20)35-25(42)12-16/h6-11,13-16,21H,3-5,12H2,1-2H3,(H,33,43)(H,34,41)(H,35,42)(H,36,37)/b11-6+/t16-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 27: 3833-3839 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.058 BindingDB Entry DOI: 10.7270/Q2GT5QPS |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50582801
![PNG](/data/jpeg/tenK5058/BindingDB_50582801.png) (CHEMBL5076656)Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2cc(Cl)nn2)c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F |r,c:9| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7 |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50250493
![PNG](/data/jpeg/tenK5025/BindingDB_50250493.png) (CHEMBL4068445)Show SMILES CN1CCC2(CCN(CC2)c2cccc3[C@H](N(CCc23)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)C1=O |r| Show InChI InChI=1S/C36H34ClFN8O5/c1-43-18-14-36(35(43)51)15-19-44(20-16-36)28-4-2-3-25-24(28)13-17-45(32(25)33(48)40-23-7-5-22(6-8-23)34(49)50)30(47)12-9-26-29(46-21-39-41-42-46)11-10-27(37)31(26)38/h2-12,21,32H,13-20H2,1H3,(H,40,48)(H,49,50)/b12-9+/t32-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method |
J Med Chem 60: 9703-9723 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50269199
![PNG](/data/jpeg/tenK5026/BindingDB_50269199.png) (CHEMBL4083769)Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCC[C@@H](C)C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H27Cl2N9O4/c1-15-4-3-5-20(33-23(40)11-6-16-12-17(29)7-10-22(16)39-14-31-37-38-39)26-35-24(25(30)36-26)19-9-8-18(32-28(42)43-2)13-21(19)34-27(15)41/h6-15,20H,3-5H2,1-2H3,(H,32,42)(H,33,40)(H,34,41)(H,35,36)/b11-6+/t15-,20+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 27: 3833-3839 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.058 BindingDB Entry DOI: 10.7270/Q2GT5QPS |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50250492
![PNG](/data/jpeg/tenK5025/BindingDB_50250492.png) (CHEMBL4097304)Show SMILES CN(C)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C34H34ClFN8O4/c1-41(2)23-14-17-42(18-15-23)28-5-3-4-25-24(28)16-19-43(32(25)33(46)38-22-8-6-21(7-9-22)34(47)48)30(45)13-10-26-29(44-20-37-39-40-44)12-11-27(35)31(26)36/h3-13,20,23,32H,14-19H2,1-2H3,(H,38,46)(H,47,48)/b13-10+/t32-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method |
J Med Chem 60: 9703-9723 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50096792
![PNG](/data/jpeg/tenK5009/BindingDB_50096792.png) (CHEMBL3580759)Show SMILES CN1CCN(CC1)C(=O)C[C@H](NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)c1nc(c(Cl)[nH]1)-c1ccc2[nH]c(=O)cc(O)c2c1 |r| Show InChI InChI=1S/C30H26Cl2N10O4/c1-40-8-10-41(11-9-40)27(46)14-22(35-25(44)7-3-17-12-19(31)4-6-23(17)42-16-33-38-39-42)30-36-28(29(32)37-30)18-2-5-21-20(13-18)24(43)15-26(45)34-21/h2-7,12-13,15-16,22,43H,8-11,14H2,1H3,(H,35,44)/b7-3+,28-18-/t22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis at 37 degC by spectrophotometry |
ACS Med Chem Lett 6: 590-5 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM247411
![PNG](/data/jpeg/tenK24/BindingDB_247411.png) (US10336754, Example 353 | US11053247, Example 353 ...)Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50582799
![PNG](/data/jpeg/tenK5058/BindingDB_50582799.png) (CHEMBL5094166)Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2cc(Cl)nn2)c2cc(ccn2)-c2c(NC1=O)cnn2C |r,c:9| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7 |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50269209
![PNG](/data/jpeg/tenK5026/BindingDB_50269209.png) (CHEMBL4063677)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\[C@H](C)CC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17| Show InChI InChI=1S/C29H28ClN9O4/c1-17-4-3-5-22(34-26(40)11-6-18-13-19(30)7-10-25(18)39-16-32-37-38-39)28-31-15-24(36-28)21-9-8-20(33-29(42)43-2)14-23(21)35-27(41)12-17/h3-4,6-11,13-17,22H,5,12H2,1-2H3,(H,31,36)(H,33,42)(H,34,40)(H,35,41)/b4-3+,11-6+/t17-,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 27: 3833-3839 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.058 BindingDB Entry DOI: 10.7270/Q2GT5QPS |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50269190
![PNG](/data/jpeg/tenK5026/BindingDB_50269190.png) (CHEMBL4103982)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H](C(C)C)C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C30H32ClN9O4/c1-17(2)21-5-4-6-23(35-27(41)12-7-18-13-19(31)8-11-26(18)40-16-33-38-39-40)28-32-15-25(36-28)22-10-9-20(34-30(43)44-3)14-24(22)37-29(21)42/h7-17,21,23H,4-6H2,1-3H3,(H,32,36)(H,34,43)(H,35,41)(H,37,42)/b12-7+/t21-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 27: 3833-3839 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.058 BindingDB Entry DOI: 10.7270/Q2GT5QPS |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50230322
![PNG](/data/jpeg/tenK5023/BindingDB_50230322.png) (CHEMBL4071545)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17| Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human activated coagulation factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126949 BindingDB Entry DOI: 10.7270/Q24Q7ZJH |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50230322
![PNG](/data/jpeg/tenK5023/BindingDB_50230322.png) (CHEMBL4071545)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17| Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method |
J Med Chem 60: 1060-1075 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01460 BindingDB Entry DOI: 10.7270/Q25D8V31 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50230322
![PNG](/data/jpeg/tenK5023/BindingDB_50230322.png) (CHEMBL4071545)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17| Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 27: 3833-3839 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.058 BindingDB Entry DOI: 10.7270/Q2GT5QPS |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50582800
![PNG](/data/jpeg/tenK5058/BindingDB_50582800.png) (CHEMBL5093567)Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7 |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50269186
![PNG](/data/jpeg/tenK5026/BindingDB_50269186.png) (CHEMBL4089185)Show SMILES CC[C@@H]1CCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2NC1=O |r| Show InChI InChI=1S/C29H30ClN9O4/c1-3-17-5-4-6-22(34-26(40)12-7-18-13-19(30)8-11-25(18)39-16-32-37-38-39)27-31-15-24(35-27)21-10-9-20(33-29(42)43-2)14-23(21)36-28(17)41/h7-17,22H,3-6H2,1-2H3,(H,31,35)(H,33,42)(H,34,40)(H,36,41)/b12-7+/t17-,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human activated factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry |
J Med Chem 63: 784-803 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01768 BindingDB Entry DOI: 10.7270/Q2J67M9S |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50269186
![PNG](/data/jpeg/tenK5026/BindingDB_50269186.png) (CHEMBL4089185)Show SMILES CC[C@@H]1CCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2NC1=O |r| Show InChI InChI=1S/C29H30ClN9O4/c1-3-17-5-4-6-22(34-26(40)12-7-18-13-19(30)8-11-25(18)39-16-32-37-38-39)27-31-15-24(35-27)21-10-9-20(33-29(42)43-2)14-23(21)36-28(17)41/h7-17,22H,3-6H2,1-2H3,(H,31,35)(H,33,42)(H,34,40)(H,36,41)/b12-7+/t17-,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 27: 3833-3839 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.058 BindingDB Entry DOI: 10.7270/Q2GT5QPS |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50514438
![PNG](/data/jpeg/tenK5051/BindingDB_50514438.png) (CHEMBL4439729)Show SMILES OC(=O)C(F)(F)F.COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C30H29ClN8O4.C2HF3O2/c1-18-4-3-5-24(35-28(40)11-6-20-14-21(31)7-10-27(20)39-17-33-37-38-39)26-15-19(12-13-32-26)23-9-8-22(34-30(42)43-2)16-25(23)36-29(18)41;3-2(4,5)1(6)7/h6-18,24H,3-5H2,1-2H3,(H,34,42)(H,35,40)(H,36,41);(H,6,7)/b11-6+;/t18-,24+;/m1./s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human activated factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry |
J Med Chem 63: 784-803 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01768 BindingDB Entry DOI: 10.7270/Q2J67M9S |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50096843
![PNG](/data/jpeg/tenK5009/BindingDB_50096843.png) (CHEMBL3580754)Show SMILES Oc1cc(=O)[nH]c2ccc(cc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C30H20Cl2N8O3/c31-20-8-10-24(40-16-33-38-39-40)18(13-20)7-11-26(42)35-23(12-17-4-2-1-3-5-17)30-36-28(29(32)37-30)19-6-9-22-21(14-19)25(41)15-27(43)34-22/h1-11,13-16,23,41H,12H2,(H,35,42)/b11-7+,28-19-/t23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometry |
ACS Med Chem Lett 6: 590-5 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24 |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50514437
![PNG](/data/jpeg/tenK5051/BindingDB_50514437.png) (CHEMBL4444690)Show SMILES CC[C@@H]1CCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccc(NC(=O)OC)cc2NC1=O |r| Show InChI InChI=1S/C31H31ClN8O4/c1-3-19-5-4-6-25(36-29(41)12-7-21-15-22(32)8-11-28(21)40-18-34-38-39-40)27-16-20(13-14-33-27)24-10-9-23(35-31(43)44-2)17-26(24)37-30(19)42/h7-19,25H,3-6H2,1-2H3,(H,35,43)(H,36,41)(H,37,42)/b12-7+/t19-,25+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human activated factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry |
J Med Chem 63: 784-803 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01768 BindingDB Entry DOI: 10.7270/Q2J67M9S |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM142872
![PNG](/data/jpeg/tenK14/BindingDB_142872.png) (US8940720, I-67)Show SMILES CCOC(=O)[C@H]1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2N1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human activated coagulation factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126949 BindingDB Entry DOI: 10.7270/Q24Q7ZJH |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50541586
![PNG](/data/jpeg/tenK5054/BindingDB_50541586.png) (CHEMBL4638245)Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C31H29ClF2N4O4/c1-17-4-3-5-26(38-13-11-19(15-27(38)39)28-23(33)9-8-22(32)29(28)34)25-14-18(10-12-35-25)21-7-6-20(36-31(41)42-2)16-24(21)37-30(17)40/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,36,41)(H,37,40)/t17-,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50541586
![PNG](/data/jpeg/tenK5054/BindingDB_50541586.png) (CHEMBL4638245)Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C31H29ClF2N4O4/c1-17-4-3-5-26(38-13-11-19(15-27(38)39)28-23(33)9-8-22(32)29(28)34)25-14-18(10-12-35-25)21-7-6-20(36-31(41)42-2)16-24(21)37-30(17)40/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,36,41)(H,37,40)/t17-,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human factor11a using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry |
J Med Chem 63: 7226-7242 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50096838
![PNG](/data/jpeg/tenK5009/BindingDB_50096838.png) (CHEMBL3580758)Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](CC(=O)N1CCS(=O)(=O)CC1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometry |
ACS Med Chem Lett 6: 590-5 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24 |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50539655
![PNG](/data/jpeg/tenK5053/BindingDB_50539655.png) (CHEMBL4632633)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCC[C@@H](Nc2c1)C(=O)N(C)C)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C30H33ClN10O4/c1-40(2)29(43)23-7-5-4-6-22(36-27(42)13-8-18-14-19(31)9-12-26(18)41-17-33-38-39-41)28-32-16-25(37-28)21-11-10-20(15-24(21)35-23)34-30(44)45-3/h8-17,22-23,35H,4-7H2,1-3H3,(H,32,37)(H,34,44)(H,36,42)/b13-8+/t22-,23+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human activated coagulation factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126949 BindingDB Entry DOI: 10.7270/Q24Q7ZJH |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50063581
![PNG](/data/jpeg/tenK5006/BindingDB_50063581.png) (CHEMBL3398612)Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:5.8,wD:2.1,11.11,(25.62,-40.59,;26.39,-39.26,;27.93,-39.26,;28.7,-40.59,;30.24,-40.59,;31.01,-39.26,;30.24,-37.93,;28.7,-37.93,;32.55,-39.26,;33.32,-40.59,;33.32,-37.93,;34.86,-37.93,;35.63,-39.26,;37.17,-39.26,;37.94,-37.93,;39.48,-37.93,;40.25,-39.26,;39.48,-40.59,;37.94,-40.59,;35.63,-36.59,;35.01,-35.19,;36.14,-34.15,;37.48,-34.93,;38.89,-34.3,;37.16,-36.43,;35.98,-32.62,;37.23,-31.72,;37.07,-30.19,;35.66,-29.56,;35.19,-28.09,;36.09,-26.85,;33.65,-28.09,;33.17,-29.56,;34.42,-30.47,;34.58,-32,)| Show InChI InChI=1S/C26H28ClN7O/c27-23-22(18-10-11-19-20(13-18)33-34-24(19)29)31-25(32-23)21(12-15-4-2-1-3-5-15)30-26(35)17-8-6-16(14-28)7-9-17/h1-5,10-11,13,16-17,21H,6-9,12,14,28-29H2,(H,30,35)/b22-18-/t16-,17-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Competitive inhibition of human coagulation factor 11a assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten eq... |
Bioorg Med Chem 24: 2257-72 (2016)
Article DOI: 10.1016/j.bmc.2016.03.062 BindingDB Entry DOI: 10.7270/Q2DN46X0 |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50096844
![PNG](/data/jpeg/tenK5009/BindingDB_50096844.png) (CHEMBL3580753)Show SMILES Oc1cc(=O)[nH]c2ccc(cc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)CCc1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C30H22Cl2N8O3/c31-20-8-10-24(40-16-33-38-39-40)18(13-20)7-11-26(42)35-23(12-17-4-2-1-3-5-17)30-36-28(29(32)37-30)19-6-9-22-21(14-19)25(41)15-27(43)34-22/h1-6,8-10,13-16,23,41H,7,11-12H2,(H,35,42)/b28-19-/t23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometry |
ACS Med Chem Lett 6: 590-5 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24 |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50269191
![PNG](/data/jpeg/tenK5026/BindingDB_50269191.png) (CHEMBL4063746)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CC(C)C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17| Show InChI InChI=1S/C29H28ClN9O4/c1-17-5-3-4-6-22(34-26(40)12-7-18-13-19(30)8-11-25(18)39-16-32-37-38-39)27-31-15-24(35-27)21-10-9-20(33-29(42)43-2)14-23(21)36-28(17)41/h3-4,7-17,22H,5-6H2,1-2H3,(H,31,35)(H,33,42)(H,34,40)(H,36,41)/b4-3+,12-7+/t17?,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 27: 3833-3839 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.058 BindingDB Entry DOI: 10.7270/Q2GT5QPS |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50269191
![PNG](/data/jpeg/tenK5026/BindingDB_50269191.png) (CHEMBL4063746)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CC(C)C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17| Show InChI InChI=1S/C29H28ClN9O4/c1-17-5-3-4-6-22(34-26(40)12-7-18-13-19(30)8-11-25(18)39-16-32-37-38-39)27-31-15-24(35-27)21-10-9-20(33-29(42)43-2)14-23(21)36-28(17)41/h3-4,7-17,22H,5-6H2,1-2H3,(H,31,35)(H,33,42)(H,34,40)(H,36,41)/b4-3+,12-7+/t17?,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 27: 3833-3839 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.058 BindingDB Entry DOI: 10.7270/Q2GT5QPS |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50250501
![PNG](/data/jpeg/tenK5025/BindingDB_50250501.png) (CHEMBL4078562)Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCOCC2)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C31H27ClFN7O5/c32-24-9-10-26(40-18-34-36-37-40)23(28(24)33)8-11-27(41)39-13-12-21-22(2-1-3-25(21)38-14-16-45-17-15-38)29(39)30(42)35-20-6-4-19(5-7-20)31(43)44/h1-11,18,29H,12-17H2,(H,35,42)(H,43,44)/b11-8+/t29-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method |
J Med Chem 60: 9703-9723 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50269195
![PNG](/data/jpeg/tenK5026/BindingDB_50269195.png) (CHEMBL4101766)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H](C)C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H28ClN9O4/c1-16-4-3-5-21(33-25(39)11-6-17-12-18(29)7-10-24(17)38-15-31-36-37-38)26-30-14-23(34-26)20-9-8-19(32-28(41)42-2)13-22(20)35-27(16)40/h6-16,21H,3-5H2,1-2H3,(H,30,34)(H,32,41)(H,33,39)(H,35,40)/b11-6+/t16-,21+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 27: 3833-3839 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.058 BindingDB Entry DOI: 10.7270/Q2GT5QPS |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50269195
![PNG](/data/jpeg/tenK5026/BindingDB_50269195.png) (CHEMBL4101766)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H](C)C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H28ClN9O4/c1-16-4-3-5-21(33-25(39)11-6-17-12-18(29)7-10-24(17)38-15-31-36-37-38)26-30-14-23(34-26)20-9-8-19(32-28(41)42-2)13-22(20)35-27(16)40/h6-16,21H,3-5H2,1-2H3,(H,30,34)(H,32,41)(H,33,39)(H,35,40)/b11-6+/t16-,21+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human activated factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry |
J Med Chem 63: 784-803 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01768 BindingDB Entry DOI: 10.7270/Q2J67M9S |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50096839
![PNG](/data/jpeg/tenK5009/BindingDB_50096839.png) (CHEMBL3580757)Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](CC(=O)N1CCN(C)CC1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometry |
ACS Med Chem Lett 6: 590-5 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24 |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50539654
![PNG](/data/jpeg/tenK5053/BindingDB_50539654.png) (CHEMBL4640111)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCC[C@@H](Nc2c1)C(=O)OC)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C29H30ClN9O5/c1-43-28(41)22-6-4-3-5-21(35-26(40)12-7-17-13-18(30)8-11-25(17)39-16-32-37-38-39)27-31-15-24(36-27)20-10-9-19(14-23(20)34-22)33-29(42)44-2/h7-16,21-22,34H,3-6H2,1-2H3,(H,31,36)(H,33,42)(H,35,40)/b12-7+/t21-,22+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human activated coagulation factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126949 BindingDB Entry DOI: 10.7270/Q24Q7ZJH |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50230325
![PNG](/data/jpeg/tenK5023/BindingDB_50230325.png) (CHEMBL4062923)Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H27Cl2N9O4/c1-43-28(42)32-18-9-10-19-21(14-18)34-23(40)6-4-2-3-5-20(27-35-25(19)26(30)36-27)33-24(41)12-7-16-13-17(29)8-11-22(16)39-15-31-37-38-39/h7-15,20H,2-6H2,1H3,(H,32,42)(H,33,41)(H,34,40)(H,35,36)/b12-7+/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 27: 3833-3839 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.058 BindingDB Entry DOI: 10.7270/Q2GT5QPS |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50230325
![PNG](/data/jpeg/tenK5023/BindingDB_50230325.png) (CHEMBL4062923)Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H27Cl2N9O4/c1-43-28(42)32-18-9-10-19-21(14-18)34-23(40)6-4-2-3-5-20(27-35-25(19)26(30)36-27)33-24(41)12-7-16-13-17(29)8-11-22(16)39-15-31-37-38-39/h7-15,20H,2-6H2,1H3,(H,32,42)(H,33,41)(H,34,40)(H,35,36)/b12-7+/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method |
J Med Chem 60: 1060-1075 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01460 BindingDB Entry DOI: 10.7270/Q25D8V31 |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50250490
![PNG](/data/jpeg/tenK5025/BindingDB_50250490.png) (CHEMBL4087166)Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCSCC2)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C31H27ClFN7O4S/c32-24-9-10-26(40-18-34-36-37-40)23(28(24)33)8-11-27(41)39-13-12-21-22(2-1-3-25(21)38-14-16-45-17-15-38)29(39)30(42)35-20-6-4-19(5-7-20)31(43)44/h1-11,18,29H,12-17H2,(H,35,42)(H,43,44)/b11-8+/t29-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method |
J Med Chem 60: 9703-9723 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50541581
![PNG](/data/jpeg/tenK5054/BindingDB_50541581.png) (CHEMBL4646341)Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(NC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C30H30ClF2N5O4/c1-16-4-3-5-25(38-13-11-22(37-29(38)40)26-21(32)9-8-20(31)27(26)33)24-14-17(10-12-34-24)19-7-6-18(35-30(41)42-2)15-23(19)36-28(16)39/h6-10,12,14-16,22,25H,3-5,11,13H2,1-2H3,(H,35,41)(H,36,39)(H,37,40)/t16-,22?,25+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human factor11a using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry |
J Med Chem 63: 7226-7242 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50096845
![PNG](/data/jpeg/tenK5009/BindingDB_50096845.png) (CHEMBL3580752)Show SMILES Cc1ccc(c(CCC(=O)N[C@@H](Cc2ccccc2)c2nc(c(Cl)[nH]2)-c2ccc3[nH]c(=O)cc(O)c3c2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C31H25ClN8O3/c1-18-7-11-25(40-17-33-38-39-40)20(13-18)9-12-27(42)35-24(14-19-5-3-2-4-6-19)31-36-29(30(32)37-31)21-8-10-23-22(15-21)26(41)16-28(43)34-23/h2-8,10-11,13,15-17,24,41H,9,12,14H2,1H3,(H,35,42)/b29-21-/t24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometry |
ACS Med Chem Lett 6: 590-5 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24 |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50541577
![PNG](/data/jpeg/tenK5054/BindingDB_50541577.png) (CHEMBL4646441)Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC[C@@H](OC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C30H29ClF2N4O5/c1-16-4-3-5-24(37-13-11-25(42-30(37)40)26-21(32)9-8-20(31)27(26)33)23-14-17(10-12-34-23)19-7-6-18(35-29(39)41-2)15-22(19)36-28(16)38/h6-10,12,14-16,24-25H,3-5,11,13H2,1-2H3,(H,35,39)(H,36,38)/t16-,24+,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human factor11a using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry |
J Med Chem 63: 7226-7242 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50096840
![PNG](/data/jpeg/tenK5009/BindingDB_50096840.png) (CHEMBL3580756)Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](CC(=O)N1CCN(CC1)C(C)=O)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometry |
ACS Med Chem Lett 6: 590-5 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24 |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM142873
![PNG](/data/jpeg/tenK14/BindingDB_142873.png) (US10487086, Example I-77 | US11136327, Example I-7...)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCC[C@H](CO)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human activated coagulation factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126949 BindingDB Entry DOI: 10.7270/Q24Q7ZJH |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM420081
![PNG](/data/jpeg/tenK42/BindingDB_420081.png) (US10487086, Example I-84)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCC[C@@H](Nc2c1)C(O)=O)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| UniChem
| Article PubMed
| 0.670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human activated coagulation factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126949 BindingDB Entry DOI: 10.7270/Q24Q7ZJH |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50269206
![PNG](/data/jpeg/tenK5026/BindingDB_50269206.png) (CHEMBL4070961)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@H](C)CC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C29H30ClN9O4/c1-17-4-3-5-22(34-26(40)11-6-18-13-19(30)7-10-25(18)39-16-32-37-38-39)28-31-15-24(36-28)21-9-8-20(33-29(42)43-2)14-23(21)35-27(41)12-17/h6-11,13-17,22H,3-5,12H2,1-2H3,(H,31,36)(H,33,42)(H,34,40)(H,35,41)/b11-6+/t17-,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 27: 3833-3839 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.058 BindingDB Entry DOI: 10.7270/Q2GT5QPS |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50541576
![PNG](/data/jpeg/tenK5054/BindingDB_50541576.png) (CHEMBL4644510)Show SMILES COC(=O)Nc1ccc2-c3cnc([nH]3)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CC[C@@H](OC1=O)c1c(F)ccc(Cl)c1F |r| Show InChI InChI=1S/C28H28ClF2N5O5/c1-14-4-3-5-21(36-11-10-22(41-28(36)39)23-18(30)9-8-17(29)24(23)31)25-32-13-20(34-25)16-7-6-15(33-27(38)40-2)12-19(16)35-26(14)37/h6-9,12-14,21-22H,3-5,10-11H2,1-2H3,(H,32,34)(H,33,38)(H,35,37)/t14-,21+,22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human factor11a using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry |
J Med Chem 63: 7226-7242 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50096842
![PNG](/data/jpeg/tenK5009/BindingDB_50096842.png) (CHEMBL3580755)Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](CC(=O)N1CCOCC1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometry |
ACS Med Chem Lett 6: 590-5 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24 |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM349975
![PNG](/data/jpeg/tenK34/BindingDB_349975.png) ((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...)Show SMILES CN1CCN(C(=O)C1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C32H28ClFN8O5/c1-39-15-16-40(28(44)17-39)25-4-2-3-22-21(25)13-14-41(30(22)31(45)36-20-7-5-19(6-8-20)32(46)47)27(43)12-9-23-26(42-18-35-37-38-42)11-10-24(33)29(23)34/h2-12,18,30H,13-17H2,1H3,(H,36,45)(H,46,47)/b12-9+/t30-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method |
J Med Chem 60: 9703-9723 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50582798
![PNG](/data/jpeg/tenK5058/BindingDB_50582798.png) (CHEMBL5082323)Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2ccnn2)c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F |r,c:9| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7 |
More data for this Ligand-Target Pair | |