Found 13 hits of Enzyme Inhibition Constant Data 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)) | BDBM50035809
(CHEMBL3359904)Show SMILES [Na+].CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5[nH]c6ccc(OS([O-])(=O)=O)cc6c5C(=O)OCC)cc4c3C(=O)OCC)cc12 Show InChI InChI=1S/C38H37NO16S.Na/c1-7-48-36(40)33-19(4)53-26-15-28(46-5)31(13-22(26)33)52-18-32-35(38(42)50-9-3)23-14-30(29(47-6)16-27(23)54-32)51-17-25-34(37(41)49-8-2)21-12-20(55-56(43,44)45)10-11-24(21)39-25;/h10-16,39H,7-9,17-18H2,1-6H3,(H,43,44,45);/q;+1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Inhibition of human factor 11a by spectrophotometric assay |
Bioorg Med Chem Lett 24: 5716-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.059
BindingDB Entry DOI: 10.7270/Q2J104SW |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50035807
(CHEMBL3359902)Show SMILES [Na+].CCOC(=O)c1c(COc2cc3c(C(=O)OCC)c(Cc4ccccc4)oc3cc2OC)[nH]c2ccc(OS([O-])(=O)=O)cc12 Show InChI InChI=1S/C31H29NO11S.Na/c1-4-39-30(33)28-20-14-19(43-44(35,36)37)11-12-22(20)32-23(28)17-41-26-15-21-24(16-25(26)38-3)42-27(29(21)31(34)40-5-2)13-18-9-7-6-8-10-18;/h6-12,14-16,32H,4-5,13,17H2,1-3H3,(H,35,36,37);/q;+1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.18E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Inhibition of human factor 11a by spectrophotometric assay |
Bioorg Med Chem Lett 24: 5716-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.059
BindingDB Entry DOI: 10.7270/Q2J104SW |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50035805
(CHEMBL3359897)Show SMILES [Na+].COc1cc2occ(C(=O)OC(C)(C)C)c2cc1OCc1nc2ccc(OS([O-])(=O)=O)cc2s1 Show InChI InChI=1S/C22H21NO9S2.Na/c1-22(2,3)31-21(24)14-10-29-16-9-17(28-4)18(8-13(14)16)30-11-20-23-15-6-5-12(7-19(15)33-20)32-34(25,26)27;/h5-10H,11H2,1-4H3,(H,25,26,27);/q;+1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.24E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Inhibition of human factor 11a by spectrophotometric assay |
Bioorg Med Chem Lett 24: 5716-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.059
BindingDB Entry DOI: 10.7270/Q2J104SW |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50035805
(CHEMBL3359897)Show SMILES [Na+].COc1cc2occ(C(=O)OC(C)(C)C)c2cc1OCc1nc2ccc(OS([O-])(=O)=O)cc2s1 Show InChI InChI=1S/C22H21NO9S2.Na/c1-22(2,3)31-21(24)14-10-29-16-9-17(28-4)18(8-13(14)16)30-11-20-23-15-6-5-12(7-19(15)33-20)32-34(25,26)27;/h5-10H,11H2,1-4H3,(H,25,26,27);/q;+1/p-1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.46E+5 | 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 by spectrophotometric assay |
Bioorg Med Chem Lett 24: 5716-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.059
BindingDB Entry DOI: 10.7270/Q2J104SW |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50035807
(CHEMBL3359902)Show SMILES [Na+].CCOC(=O)c1c(COc2cc3c(C(=O)OCC)c(Cc4ccccc4)oc3cc2OC)[nH]c2ccc(OS([O-])(=O)=O)cc12 Show InChI InChI=1S/C31H29NO11S.Na/c1-4-39-30(33)28-20-14-19(43-44(35,36)37)11-12-22(20)32-23(28)17-41-26-15-21-24(16-25(26)38-3)42-27(29(21)31(34)40-5-2)13-18-9-7-6-8-10-18;/h6-12,14-16,32H,4-5,13,17H2,1-3H3,(H,35,36,37);/q;+1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.95E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a by spectrophotometric assay |
Bioorg Med Chem Lett 24: 5716-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.059
BindingDB Entry DOI: 10.7270/Q2J104SW |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50035808
(CHEMBL3359903)Show SMILES [Na+].CCOC(=O)c1c(C)[nH]c2ccc(OCc3c(C(=O)OCC)c4cc(OS([O-])(=O)=O)ccc4n3C(=O)OC(C)(C)C)cc12 Show InChI InChI=1S/C29H32N2O11S.Na/c1-7-38-26(32)24-16(3)30-21-11-9-17(13-19(21)24)40-15-23-25(27(33)39-8-2)20-14-18(42-43(35,36)37)10-12-22(20)31(23)28(34)41-29(4,5)6;/h9-14,30H,7-8,15H2,1-6H3,(H,35,36,37);/q;+1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Inhibition of human factor 11a by spectrophotometric assay |
Bioorg Med Chem Lett 24: 5716-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.059
BindingDB Entry DOI: 10.7270/Q2J104SW |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50035808
(CHEMBL3359903)Show SMILES [Na+].CCOC(=O)c1c(C)[nH]c2ccc(OCc3c(C(=O)OCC)c4cc(OS([O-])(=O)=O)ccc4n3C(=O)OC(C)(C)C)cc12 Show InChI InChI=1S/C29H32N2O11S.Na/c1-7-38-26(32)24-16(3)30-21-11-9-17(13-19(21)24)40-15-23-25(27(33)39-8-2)20-14-18(42-43(35,36)37)10-12-22(20)31(23)28(34)41-29(4,5)6;/h9-14,30H,7-8,15H2,1-6H3,(H,35,36,37);/q;+1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.29E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a by spectrophotometric assay |
Bioorg Med Chem Lett 24: 5716-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.059
BindingDB Entry DOI: 10.7270/Q2J104SW |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50035809
(CHEMBL3359904)Show SMILES [Na+].CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5[nH]c6ccc(OS([O-])(=O)=O)cc6c5C(=O)OCC)cc4c3C(=O)OCC)cc12 Show InChI InChI=1S/C38H37NO16S.Na/c1-7-48-36(40)33-19(4)53-26-15-28(46-5)31(13-22(26)33)52-18-32-35(38(42)50-9-3)23-14-30(29(47-6)16-27(23)54-32)51-17-25-34(37(41)49-8-2)21-12-20(55-56(43,44)45)10-11-24(21)39-25;/h10-16,39H,7-9,17-18H2,1-6H3,(H,43,44,45);/q;+1/p-1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.04E+5 | 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 by spectrophotometric assay |
Bioorg Med Chem Lett 24: 5716-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.059
BindingDB Entry DOI: 10.7270/Q2J104SW |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50035807
(CHEMBL3359902)Show SMILES [Na+].CCOC(=O)c1c(COc2cc3c(C(=O)OCC)c(Cc4ccccc4)oc3cc2OC)[nH]c2ccc(OS([O-])(=O)=O)cc12 Show InChI InChI=1S/C31H29NO11S.Na/c1-4-39-30(33)28-20-14-19(43-44(35,36)37)11-12-22(20)32-23(28)17-41-26-15-21-24(16-25(26)38-3)42-27(29(21)31(34)40-5-2)13-18-9-7-6-8-10-18;/h6-12,14-16,32H,4-5,13,17H2,1-3H3,(H,35,36,37);/q;+1/p-1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.27E+5 | 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 by spectrophotometric assay |
Bioorg Med Chem Lett 24: 5716-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.059
BindingDB Entry DOI: 10.7270/Q2J104SW |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50035806
(CHEMBL3359899)Show SMILES [Na+].Cc1nc2ccc(OCc3nc4ccc(OS([O-])(=O)=O)cc4s3)cc2s1 Show InChI InChI=1S/C16H12N2O5S3.Na/c1-9-17-12-4-2-10(6-14(12)24-9)22-8-16-18-13-5-3-11(7-15(13)25-16)23-26(19,20)21;/h2-7H,8H2,1H3,(H,19,20,21);/q;+1/p-1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.27E+5 | 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 by spectrophotometric assay |
Bioorg Med Chem Lett 24: 5716-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.059
BindingDB Entry DOI: 10.7270/Q2J104SW |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50035809
(CHEMBL3359904)Show SMILES [Na+].CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5[nH]c6ccc(OS([O-])(=O)=O)cc6c5C(=O)OCC)cc4c3C(=O)OCC)cc12 Show InChI InChI=1S/C38H37NO16S.Na/c1-7-48-36(40)33-19(4)53-26-15-28(46-5)31(13-22(26)33)52-18-32-35(38(42)50-9-3)23-14-30(29(47-6)16-27(23)54-32)51-17-25-34(37(41)49-8-2)21-12-20(55-56(43,44)45)10-11-24(21)39-25;/h10-16,39H,7-9,17-18H2,1-6H3,(H,43,44,45);/q;+1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a by spectrophotometric assay |
Bioorg Med Chem Lett 24: 5716-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.059
BindingDB Entry DOI: 10.7270/Q2J104SW |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50035805
(CHEMBL3359897)Show SMILES [Na+].COc1cc2occ(C(=O)OC(C)(C)C)c2cc1OCc1nc2ccc(OS([O-])(=O)=O)cc2s1 Show InChI InChI=1S/C22H21NO9S2.Na/c1-22(2,3)31-21(24)14-10-29-16-9-17(28-4)18(8-13(14)16)30-11-20-23-15-6-5-12(7-19(15)33-20)32-34(25,26)27;/h5-10H,11H2,1-4H3,(H,25,26,27);/q;+1/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.52E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a by spectrophotometric assay |
Bioorg Med Chem Lett 24: 5716-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.059
BindingDB Entry DOI: 10.7270/Q2J104SW |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50035808
(CHEMBL3359903)Show SMILES [Na+].CCOC(=O)c1c(C)[nH]c2ccc(OCc3c(C(=O)OCC)c4cc(OS([O-])(=O)=O)ccc4n3C(=O)OC(C)(C)C)cc12 Show InChI InChI=1S/C29H32N2O11S.Na/c1-7-38-26(32)24-16(3)30-21-11-9-17(13-19(21)24)40-15-23-25(27(33)39-8-2)20-14-18(42-43(35,36)37)10-12-22(20)31(23)28(34)41-29(4,5)6;/h9-14,30H,7-8,15H2,1-6H3,(H,35,36,37);/q;+1/p-1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.25E+5 | 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 by spectrophotometric assay |
Bioorg Med Chem Lett 24: 5716-20 (2014)
Article DOI: 10.1016/j.bmcl.2014.10.059
BindingDB Entry DOI: 10.7270/Q2J104SW |
More data for this
Ligand-Target Pair | |
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