Found 32 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 X
(Homo sapiens (Human)) | BDBM50295588
(5-chloro-N-((3S,4S)-1-(2-(2-fluoro-4-(2-oxopyridin...)Show SMILES CO[C@H]1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)C[C@@H]1NC(=O)c1ccc(Cl)s1 |r| Show InChI InChI=1S/C23H22ClFN4O4S/c1-33-18-12-28(11-17(18)27-23(32)19-7-8-20(24)34-19)13-21(30)26-16-6-5-14(10-15(16)25)29-9-3-2-4-22(29)31/h2-10,17-18H,11-13H2,1H3,(H,26,30)(H,27,32)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295581
(4-chloro-N-(1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)Show SMILES Fc1cc(ccc1NC(=O)Cn1ccc(NC(=O)c2ccc(Cl)s2)n1)-n1ccccc1=O Show InChI InChI=1S/C21H15ClFN5O3S/c22-17-7-6-16(32-17)21(31)25-18-8-10-27(26-18)12-19(29)24-15-5-4-13(11-14(15)23)28-9-2-1-3-20(28)30/h1-11H,12H2,(H,24,29)(H,25,26,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295583
(4-chloro-N-(1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)Show SMILES Fc1cc(ccc1NC(=O)Cn1cnc(NC(=O)c2ccc(Cl)s2)n1)-n1ccccc1=O Show InChI InChI=1S/C20H14ClFN6O3S/c21-16-7-6-15(32-16)19(31)25-20-23-11-27(26-20)10-17(29)24-14-5-4-12(9-13(14)22)28-8-2-1-3-18(28)30/h1-9,11H,10H2,(H,24,29)(H,25,26,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295585
((R)-4-chloro-N-(1-(2-(2-fluoro-4-(2-oxopyridin-1(2...)Show SMILES Fc1cc(ccc1NC(=O)CN1CC[C@H](C1)NC(=O)c1ccc(Cl)s1)-n1ccccc1=O |r| Show InChI InChI=1S/C22H20ClFN4O3S/c23-19-7-6-18(32-19)22(31)25-14-8-10-27(12-14)13-20(29)26-17-5-4-15(11-16(17)24)28-9-2-1-3-21(28)30/h1-7,9,11,14H,8,10,12-13H2,(H,25,31)(H,26,29)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295587
(5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[...)Show SMILES O[C@H]1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)C[C@@H]1NC(=O)c1ccc(Cl)s1 |r| Show InChI InChI=1S/C22H20ClFN4O4S/c23-19-7-6-18(33-19)22(32)26-16-10-27(11-17(16)29)12-20(30)25-15-5-4-13(9-14(15)24)28-8-2-1-3-21(28)31/h1-9,16-17,29H,10-12H2,(H,25,30)(H,26,32)/t16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295589
(5-chloro-N-((3S,4S)-4-ethoxy-1-(2-(2-fluoro-4-(2-o...)Show SMILES CCO[C@H]1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)C[C@@H]1NC(=O)c1ccc(Cl)s1 |r| Show InChI InChI=1S/C24H24ClFN4O4S/c1-2-34-19-13-29(12-18(19)28-24(33)20-8-9-21(25)35-20)14-22(31)27-17-7-6-15(11-16(17)26)30-10-4-3-5-23(30)32/h3-11,18-19H,2,12-14H2,1H3,(H,27,31)(H,28,33)/t18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295584
(4-chloro-N-(2-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)Show SMILES Fc1cc(ccc1NC(=O)Cn1nnc(NC(=O)c2ccc(Cl)s2)n1)-n1ccccc1=O Show InChI InChI=1S/C19H13ClFN7O3S/c20-15-7-6-14(32-15)18(31)23-19-24-26-28(25-19)10-16(29)22-13-5-4-11(9-12(13)21)27-8-2-1-3-17(27)30/h1-9H,10H2,(H,22,29)(H,23,25,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295593
((+/-)5-chloro-N-(1-(2-(2-fluoro-4-(2-oxopyridin-1(...)Show SMILES CC1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)CC1NC(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C23H22ClFN4O3S/c1-14-11-28(12-18(14)27-23(32)19-7-8-20(24)33-19)13-21(30)26-17-6-5-15(10-16(17)25)29-9-3-2-4-22(29)31/h2-10,14,18H,11-13H2,1H3,(H,26,30)(H,27,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295579
(5-chloro-N-(4-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)Show SMILES Fc1cc(ccc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)s2)n1)-n1ccccc1=O Show InChI InChI=1S/C21H14ClFN4O3S2/c22-17-7-6-16(32-17)20(30)26-21-24-12(11-31-21)9-18(28)25-15-5-4-13(10-14(15)23)27-8-2-1-3-19(27)29/h1-8,10-11H,9H2,(H,25,28)(H,24,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295590
(5-chloro-N-((3S,4S)-4-(2,2-difluoroethoxy)-1-(2-(2...)Show SMILES FC(F)CO[C@H]1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)C[C@@H]1NC(=O)c1ccc(Cl)s1 |r| Show InChI InChI=1S/C24H22ClF3N4O4S/c25-20-7-6-19(37-20)24(35)30-17-10-31(11-18(17)36-13-21(27)28)12-22(33)29-16-5-4-14(9-15(16)26)32-8-2-1-3-23(32)34/h1-9,17-18,21H,10-13H2,(H,29,33)(H,30,35)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295591
(5-chloro-N-((3S,4S)-1-(2-(2-fluoro-4-(2-oxopyridin...)Show SMILES OCCO[C@H]1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)C[C@@H]1NC(=O)c1ccc(Cl)s1 |r| Show InChI InChI=1S/C24H24ClFN4O5S/c25-21-7-6-20(36-21)24(34)28-18-12-29(13-19(18)35-10-9-31)14-22(32)27-17-5-4-15(11-16(17)26)30-8-2-1-3-23(30)33/h1-8,11,18-19,31H,9-10,12-14H2,(H,27,32)(H,28,34)/t18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295592
(5-chloro-N-((3R,4S)-1-(2-(2-fluoro-4-(2-oxopyridin...)Show SMILES OC[C@H]1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)C[C@@H]1NC(=O)c1ccc(Cl)s1 |r| Show InChI InChI=1S/C23H22ClFN4O4S/c24-20-7-6-19(34-20)23(33)27-18-11-28(10-14(18)13-30)12-21(31)26-17-5-4-15(9-16(17)25)29-8-2-1-3-22(29)32/h1-9,14,18,30H,10-13H2,(H,26,31)(H,27,33)/t14-,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295595
(5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FL...)Show SMILES F[C@H]1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)C[C@@H]1NC(=O)c1ccc(Cl)s1 |r| Show InChI InChI=1S/C22H19ClF2N4O3S/c23-19-7-6-18(33-19)22(32)27-17-11-28(10-15(17)25)12-20(30)26-16-5-4-13(9-14(16)24)29-8-2-1-3-21(29)31/h1-9,15,17H,10-12H2,(H,26,30)(H,27,32)/t15-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295578
(5-chloro-N-(4-(2-(4-(1-methylpiperidin-4-yl)pipera...)Show SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)Cc1csc(NC(=O)c2ccc(Cl)s2)n1 Show InChI InChI=1S/C20H26ClN5O2S2/c1-24-6-4-15(5-7-24)25-8-10-26(11-9-25)18(27)12-14-13-29-20(22-14)23-19(28)16-2-3-17(21)30-16/h2-3,13,15H,4-12H2,1H3,(H,22,23,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295594
((+/-)-5-chloro-N-(4-cyclopropyl-1-(2-(2-fluoro-4-(...)Show SMILES Fc1cc(ccc1NC(=O)CN1CC(NC(=O)c2ccc(Cl)s2)C(C1)C1CC1)-n1ccccc1=O Show InChI InChI=1S/C25H24ClFN4O3S/c26-22-9-8-21(35-22)25(34)29-20-13-30(12-17(20)15-4-5-15)14-23(32)28-19-7-6-16(11-18(19)27)31-10-2-1-3-24(31)33/h1-3,6-11,15,17,20H,4-5,12-14H2,(H,28,32)(H,29,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295580
(4-chloro-N-(1-(2-(4-(1-methylpiperidin-4-yl)pipera...)Show SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)Cn1ccc(NC(=O)c2ccc(Cl)s2)n1 Show InChI InChI=1S/C20H27ClN6O2S/c1-24-7-4-15(5-8-24)25-10-12-26(13-11-25)19(28)14-27-9-6-18(23-27)22-20(29)16-2-3-17(21)30-16/h2-3,6,9,15H,4-5,7-8,10-14H2,1H3,(H,22,23,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295599
((2S,4R)-4-(5-chlorothiophene-2-carboxamido)-N-(cyc...)Show SMILES Fc1cc(ccc1NC(=O)CN1C[C@@H](C[C@H]1C(=O)NCC1CC1)NC(=O)c1ccc(Cl)s1)-n1ccccc1=O |r| Show InChI InChI=1S/C27H27ClFN5O4S/c28-23-9-8-22(39-23)27(38)31-17-11-21(26(37)30-13-16-4-5-16)33(14-17)15-24(35)32-20-7-6-18(12-19(20)29)34-10-2-1-3-25(34)36/h1-3,6-10,12,16-17,21H,4-5,11,13-15H2,(H,30,37)(H,31,38)(H,32,35)/t17-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295597
(5-chloro-N-((3R,5S)-1-(2-(2-fluoro-4-(2-oxopyridin...)Show SMILES COC[C@@H]1C[C@H](CN1CC(=O)Nc1ccc(cc1F)-n1ccccc1=O)NC(=O)c1ccc(Cl)s1 |r| Show InChI InChI=1S/C24H24ClFN4O4S/c1-34-14-17-10-15(27-24(33)20-7-8-21(25)35-20)12-29(17)13-22(31)28-19-6-5-16(11-18(19)26)30-9-3-2-4-23(30)32/h2-9,11,15,17H,10,12-14H2,1H3,(H,27,33)(H,28,31)/t15-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295596
(5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[...)Show SMILES OC[C@@H]1C[C@H](CN1CC(=O)Nc1ccc(cc1F)-n1ccccc1=O)NC(=O)c1ccc(Cl)s1 |r| Show InChI InChI=1S/C23H22ClFN4O4S/c24-20-7-6-19(34-20)23(33)26-14-9-16(13-30)28(11-14)12-21(31)27-18-5-4-15(10-17(18)25)29-8-2-1-3-22(29)32/h1-8,10,14,16,30H,9,11-13H2,(H,26,33)(H,27,31)/t14-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
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| CHEMBL
MMDB
PC cid
PC sid
PDB
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Patents
Similars
| MMDB
PDB
Article
PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295577
(5-chloro-N-(4-(2-oxo-2-(4-(2-oxo-2-(pyrrolidin-1-y...)Show SMILES Clc1ccc(s1)C(=O)Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1 Show InChI InChI=1S/C20H24ClN5O3S2/c21-16-4-3-15(31-16)19(29)23-20-22-14(13-30-20)11-17(27)26-9-7-24(8-10-26)12-18(28)25-5-1-2-6-25/h3-4,13H,1-2,5-12H2,(H,22,23,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295576
(4-chloro-N-(4-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)Show SMILES Fc1cc(ccc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)-n1ccccc1=O Show InChI InChI=1S/C23H16ClFN4O3S/c24-15-6-4-14(5-7-15)22(32)28-23-26-16(13-33-23)11-20(30)27-19-9-8-17(12-18(19)25)29-10-2-1-3-21(29)31/h1-10,12-13H,11H2,(H,27,30)(H,26,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295598
(5-chloro-N-((3R,5S)-1-(2-(2-fluoro-4-(2-oxopyridin...)Show SMILES Fc1cc(ccc1NC(=O)CN1C[C@@H](C[C@H]1CN1CCCC1)NC(=O)c1ccc(Cl)s1)-n1ccccc1=O |r| Show InChI InChI=1S/C27H29ClFN5O3S/c28-24-9-8-23(38-24)27(37)30-18-13-20(16-32-10-3-4-11-32)33(15-18)17-25(35)31-22-7-6-19(14-21(22)29)34-12-2-1-5-26(34)36/h1-2,5-9,12,14,18,20H,3-4,10-11,13,15-17H2,(H,30,37)(H,31,35)/t18-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| 132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295575
(4-chloro-N-(4-(2-(4-(1-methylpiperidin-4-yl)pipera...)Show SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 Show InChI InChI=1S/C22H28ClN5O2S/c1-26-8-6-19(7-9-26)27-10-12-28(13-11-27)20(29)14-18-15-31-22(24-18)25-21(30)16-2-4-17(23)5-3-16/h2-5,15,19H,6-14H2,1H3,(H,24,25,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 162 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295582
(4-chloro-N-(1-(2-(4-(1-methylpiperidin-4-yl)pipera...)Show SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)Cn1cnc(NC(=O)c2ccc(Cl)s2)n1 Show InChI InChI=1S/C19H26ClN7O2S/c1-24-6-4-14(5-7-24)25-8-10-26(11-9-25)17(28)12-27-13-21-19(23-27)22-18(29)15-2-3-16(20)30-15/h2-3,13-14H,4-12H2,1H3,(H,22,23,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 175 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295574
(4-chloro-N-(4-(2-oxo-2-(4-(2-oxo-2-(pyrrolidin-1-y...)Show SMILES Clc1ccc(cc1)C(=O)Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1 Show InChI InChI=1S/C22H26ClN5O3S/c23-17-5-3-16(4-6-17)21(31)25-22-24-18(15-32-22)13-19(29)28-11-9-26(10-12-28)14-20(30)27-7-1-2-8-27/h3-6,15H,1-2,7-14H2,(H,24,25,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 442 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50295586
((S)-4-chloro-N-(1-(2-(2-fluoro-4-(2-oxopyridin-1(2...)Show SMILES Fc1cc(ccc1NC(=O)CN1CC[C@@H](C1)NC(=O)c1ccc(Cl)s1)-n1ccccc1=O |r| Show InChI InChI=1S/C22H20ClFN4O3S/c23-19-7-6-18(32-19)22(31)25-14-8-10-27(12-14)13-20(29)26-17-5-4-15(11-16(17)24)28-9-2-1-3-21(28)30/h1-7,9,11,14H,8,10,12-13H2,(H,25,31)(H,26,29)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to factor 10a |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50295574
(4-chloro-N-(4-(2-oxo-2-(4-(2-oxo-2-(pyrrolidin-1-y...)Show SMILES Clc1ccc(cc1)C(=O)Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1 Show InChI InChI=1S/C22H26ClN5O3S/c23-17-5-3-16(4-6-17)21(31)25-22-24-18(15-32-22)13-19(29)28-11-9-26(10-12-28)14-20(30)27-7-1-2-8-27/h3-6,15H,1-2,7-14H2,(H,24,25,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to thrombin |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50295577
(5-chloro-N-(4-(2-oxo-2-(4-(2-oxo-2-(pyrrolidin-1-y...)Show SMILES Clc1ccc(s1)C(=O)Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1 Show InChI InChI=1S/C20H24ClN5O3S2/c21-16-4-3-15(31-16)19(29)23-20-22-14(13-30-20)11-17(27)26-9-7-24(8-10-26)12-18(28)25-5-1-2-6-25/h3-4,13H,1-2,5-12H2,(H,22,23,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to thrombin |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50295575
(4-chloro-N-(4-(2-(4-(1-methylpiperidin-4-yl)pipera...)Show SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 Show InChI InChI=1S/C22H28ClN5O2S/c1-26-8-6-19(7-9-26)27-10-12-28(13-11-27)20(29)14-18-15-31-22(24-18)25-21(30)16-2-4-17(23)5-3-16/h2-5,15,19H,6-14H2,1H3,(H,24,25,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to thrombin |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50295578
(5-chloro-N-(4-(2-(4-(1-methylpiperidin-4-yl)pipera...)Show SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)Cc1csc(NC(=O)c2ccc(Cl)s2)n1 Show InChI InChI=1S/C20H26ClN5O2S2/c1-24-6-4-15(5-7-24)25-8-10-26(11-9-25)18(27)12-14-13-29-20(22-14)23-19(28)16-2-3-17(21)30-16/h2-3,13,15H,4-12H2,1H3,(H,22,23,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to thrombin |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50295579
(5-chloro-N-(4-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)Show SMILES Fc1cc(ccc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)s2)n1)-n1ccccc1=O Show InChI InChI=1S/C21H14ClFN4O3S2/c22-17-7-6-16(32-17)20(30)26-21-24-12(11-31-21)9-18(28)25-15-5-4-13(10-14(15)23)27-8-2-1-3-19(27)29/h1-8,10-11H,9H2,(H,25,28)(H,24,26,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to thrombin |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50295576
(4-chloro-N-(4-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)Show SMILES Fc1cc(ccc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)-n1ccccc1=O Show InChI InChI=1S/C23H16ClFN4O3S/c24-15-6-4-14(5-7-15)22(32)28-23-26-16(13-33-23)11-20(30)27-19-9-8-17(12-18(19)25)29-10-2-1-3-21(29)31/h1-10,12-13H,11H2,(H,27,30)(H,26,28,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to thrombin |
Eur J Med Chem 44: 2787-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP |
More data for this
Ligand-Target Pair | |
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