Found 93 hits with Last Name = 'post' and Initial = 'jm' 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)) | BDBM17284
(2-{[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-diflu...)Show SMILES CN(CC(O)=O)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:18| Show InChI InChI=1S/C25H24F2N6O5/c1-32-9-8-30-23(32)14-4-3-5-15(10-14)37-24-19(26)21(33(2)12-18(35)36)20(27)25(31-24)38-17-11-13(22(28)29)6-7-16(17)34/h3-7,10-11,34H,8-9,12H2,1-2H3,(H3,28,29)(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066635
((4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-difl...)Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(OC3CCN(CC(O)=O)CC3)c2F)c1 |c:4| Show InChI InChI=1S/C29H30F2N6O6/c1-36-12-9-34-27(36)17-3-2-4-19(13-17)42-28-23(30)25(41-18-7-10-37(11-8-18)15-22(39)40)24(31)29(35-28)43-21-14-16(26(32)33)5-6-20(21)38/h2-6,13-14,18,38H,7-12,15H2,1H3,(H3,32,33)(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066619
(({2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-difluo...)Show SMILES CCOC(=O)CN(C)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:20| Show InChI InChI=1S/C27H28F2N6O5/c1-4-38-20(37)14-35(3)23-21(28)26(39-17-7-5-6-16(12-17)25-32-10-11-34(25)2)33-27(22(23)29)40-19-13-15(24(30)31)8-9-18(19)36/h5-9,12-13,36H,4,10-11,14H2,1-3H3,(H3,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066634
((4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-difl...)Show SMILES CCOC(=O)CN1CCC(CC1)Oc1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:26| Show InChI InChI=1S/C31H34F2N6O6/c1-3-42-24(41)17-39-12-9-20(10-13-39)43-27-25(32)30(44-21-6-4-5-19(15-21)29-36-11-14-38(29)2)37-31(26(27)33)45-23-16-18(28(34)35)7-8-22(23)40/h4-8,15-16,20,40H,3,9-14,17H2,1-2H3,(H3,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066641
((2S,4R)-4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3...)Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(O[C@H]3CN[C@@H](C3)C(O)=O)c2F)c1 |c:4| Show InChI InChI=1S/C27H26F2N6O6/c1-35-8-7-32-24(35)14-3-2-4-15(9-14)40-25-20(28)22(39-16-11-17(27(37)38)33-12-16)21(29)26(34-25)41-19-10-13(23(30)31)5-6-18(19)36/h2-6,9-10,16-17,33,36H,7-8,11-12H2,1H3,(H3,30,31)(H,37,38)/t16-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066623
(CHEMBL72318 | {[2-(5-Carbamimidoyl-2-hydroxy-pheno...)Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(N(C)CC(O)=O)c2F)c1 Show InChI InChI=1S/C24H23F2N5O6/c1-30(2)24(35)13-5-4-6-14(9-13)36-22-18(25)20(31(3)11-17(33)34)19(26)23(29-22)37-16-10-12(21(27)28)7-8-15(16)32/h4-10,32H,11H2,1-3H3,(H3,27,28)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066639
((2S,4R)-4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3...)Show SMILES CCOC(=O)[C@@H]1C[C@H](CN1)Oc1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:24| Show InChI InChI=1S/C29H30F2N6O6/c1-3-40-29(39)19-13-18(14-35-19)41-24-22(30)27(42-17-6-4-5-16(11-17)26-34-9-10-37(26)2)36-28(23(24)31)43-21-12-15(25(32)33)7-8-20(21)38/h4-8,11-12,18-19,35,38H,3,9-10,13-14H2,1-2H3,(H3,32,33)/t18-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066625
(CHEMBL120438 | {4-[2-(5-Carbamimidoyl-2-hydroxy-ph...)Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(OC3CCN(CC(O)=O)CC3)c2F)c1 Show InChI InChI=1S/C28H29F2N5O7/c1-34(2)28(39)16-4-3-5-18(12-16)41-26-22(29)24(40-17-8-10-35(11-9-17)14-21(37)38)23(30)27(33-26)42-20-13-15(25(31)32)6-7-19(20)36/h3-7,12-13,17,36H,8-11,14H2,1-2H3,(H3,31,32)(H,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM17277
((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066628
((2S,4R)-4-[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6...)Show SMILES CCOC(=O)[C@@H]1C[C@H](CN1)Oc1c(F)c(Oc2cccc(c2)C(=O)N(C)C)nc(Oc2cc(ccc2O)C(N)=N)c1F Show InChI InChI=1S/C28H29F2N5O7/c1-4-39-28(38)18-12-17(13-33-18)40-23-21(29)25(41-16-7-5-6-15(10-16)27(37)35(2)3)34-26(22(23)30)42-20-11-14(24(31)32)8-9-19(20)36/h5-11,17-18,33,36H,4,12-13H2,1-3H3,(H3,31,32)/t17-,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066638
(3-[6-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-diflu...)Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(C)c2F)c1 Show InChI InChI=1S/C22H20F2N4O4/c1-11-17(23)20(31-14-6-4-5-13(9-14)22(30)28(2)3)27-21(18(11)24)32-16-10-12(19(25)26)7-8-15(16)29/h4-10,29H,1-3H3,(H3,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066637
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-[3-(1-meth...)Show SMILES CN1CCN=C1c1cccc(Oc2cc(cc(Oc3cc(ccc3O)C(N)=N)n2)C(O)=O)c1 |c:4| Show InChI InChI=1S/C23H21N5O5/c1-28-8-7-26-22(28)14-3-2-4-16(9-14)32-19-11-15(23(30)31)12-20(27-19)33-18-10-13(21(24)25)5-6-17(18)29/h2-6,9-12,29H,7-8H2,1H3,(H3,24,25)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066622
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-(3-dimethy...)Show SMILES CN(C)C(=O)c1cccc(Oc2cc(cc(Oc3cc(ccc3O)C(N)=N)n2)C(O)=O)c1 Show InChI InChI=1S/C22H20N4O6/c1-26(2)21(28)13-4-3-5-15(8-13)31-18-10-14(22(29)30)11-19(25-18)32-17-9-12(20(23)24)6-7-16(17)27/h3-11,27H,1-2H3,(H3,23,24)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066636
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-[3-(1-meth...)Show SMILES Cn1ccnc1-c1cccc(Oc2cc(cc(Oc3cc(ccc3O)C(N)=N)n2)C(O)=O)c1 Show InChI InChI=1S/C23H19N5O5/c1-28-8-7-26-22(28)14-3-2-4-16(9-14)32-19-11-15(23(30)31)12-20(27-19)33-18-10-13(21(24)25)5-6-17(18)29/h2-12,29H,1H3,(H3,24,25)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM17278
(3-{[6-(3-carbamimidoylphenoxy)-3,5-difluoro-4-meth...)Show SMILES Cc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2cccc(c2)C(N)=N)c1F Show InChI InChI=1S/C20H17F2N5O2/c1-10-15(21)19(28-13-6-2-4-11(8-13)17(23)24)27-20(16(10)22)29-14-7-3-5-12(9-14)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066627
(3-[6-(2-Amino-5-carbamimidoyl-phenoxy)-3,5-difluor...)Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3N)C(N)=N)c(F)c(C)c2F)c1 Show InChI InChI=1S/C22H21F2N5O3/c1-11-17(23)20(31-14-6-4-5-13(9-14)22(30)29(2)3)28-21(18(11)24)32-16-10-12(19(26)27)7-8-15(16)25/h4-10H,25H2,1-3H3,(H3,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066640
(3-{6-[3-amino(imino)methylphenoxy]-3,5-difluoro-2-...)Show SMILES NC(=N)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)cc2F)c1 Show InChI InChI=1S/C19H15F2N5O2/c20-14-9-15(21)19(28-13-6-2-4-11(8-13)17(24)25)26-18(14)27-12-5-1-3-10(7-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066617
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-(3-imidazo...)Show SMILES NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)-n3ccnc3)n2)C(O)=O)c1 Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17(28)18(8-13)32-20-10-14(22(29)30)9-19(26-20)31-16-3-1-2-15(11-16)27-7-6-25-12-27/h1-12,28H,(H3,23,24)(H,29,30) | PDB
MMDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM17277
((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14- | PDB
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| MMDB
PDB
Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against bovine trypsin. |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066626
(3-{6-[3-amino(imino)methylphenoxy]-2-pyridyloxy}ph...)Show SMILES NC(=N)c1cccc(Oc2cccc(Oc3cccc(c3)C(N)=N)n2)c1 Show InChI InChI=1S/C19H17N5O2/c20-18(21)12-4-1-6-14(10-12)25-16-8-3-9-17(24-16)26-15-7-2-5-13(11-15)19(22)23/h1-11H,(H3,20,21)(H3,22,23) | PDB
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| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066620
(2,6-Bis-(3-carbamimidoyl-phenoxy)-isonicotinic aci...)Show SMILES NC(=N)c1cccc(Oc2cc(cc(Oc3cccc(c3)C(N)=N)n2)C(O)=O)c1 Show InChI InChI=1S/C20H17N5O4/c21-18(22)11-3-1-5-14(7-11)28-16-9-13(20(26)27)10-17(25-16)29-15-6-2-4-12(8-15)19(23)24/h1-10H,(H3,21,22)(H3,23,24)(H,26,27) | PDB
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| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066633
(3-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-meth...)Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(C)c2F)c1 Show InChI InChI=1S/C22H20F2N4O3/c1-12-17(23)20(30-15-8-4-6-13(10-15)19(25)26)27-21(18(12)24)31-16-9-5-7-14(11-16)22(29)28(2)3/h4-11H,1-3H3,(H3,25,26) | PDB
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM17279
(2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(4,5-dih...)Show SMILES NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)C3=NCCN3)n2)C(O)=O)c1 |t:23| Show InChI InChI=1S/C22H19N5O5/c23-20(24)12-4-5-16(28)17(9-12)32-19-11-14(22(29)30)10-18(27-19)31-15-3-1-2-13(8-15)21-25-6-7-26-21/h1-5,8-11,28H,6-7H2,(H3,23,24)(H,25,26)(H,29,30) | PDB
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| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50066635
((4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-difl...)Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(OC3CCN(CC(O)=O)CC3)c2F)c1 |c:4| Show InChI InChI=1S/C29H30F2N6O6/c1-36-12-9-34-27(36)17-3-2-4-19(13-17)42-28-23(30)25(41-18-7-10-37(11-8-18)15-22(39)40)24(31)29(35-28)43-21-14-16(26(32)33)5-6-20(21)38/h2-6,13-14,18,38H,7-12,15H2,1H3,(H3,32,33)(H,39,40) | PDB
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| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human thrombin |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066629
(3-{6-[3-amino(imino)methylphenoxy]-3,5-dichloro-2-...)Show SMILES NC(=N)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(Cl)cc2Cl)c1 Show InChI InChI=1S/C19H15Cl2N5O2/c20-14-9-15(21)19(28-13-6-2-4-11(8-13)17(24)25)26-18(14)27-12-5-1-3-10(7-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25) | PDB
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066642
(4-{6-[3-amino(imino)methylphenoxy]-2-pyridyloxy}ph...)Show SMILES NC(=N)c1ccc(Oc2cccc(Oc3cccc(c3)C(N)=N)n2)cc1 Show InChI InChI=1S/C19H17N5O2/c20-18(21)12-7-9-14(10-8-12)25-16-5-2-6-17(24-16)26-15-4-1-3-13(11-15)19(22)23/h1-11H,(H3,20,21)(H3,22,23) | PDB
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50066639
((2S,4R)-4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3...)Show SMILES CCOC(=O)[C@@H]1C[C@H](CN1)Oc1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:24| Show InChI InChI=1S/C29H30F2N6O6/c1-3-40-29(39)19-13-18(14-35-19)41-24-22(30)27(42-17-6-4-5-16(11-17)26-34-9-10-37(26)2)36-28(23(24)31)43-21-12-15(25(32)33)7-8-20(21)38/h4-8,11-12,18-19,35,38H,3,9-10,13-14H2,1-2H3,(H3,32,33)/t18-,19+/m1/s1 | PDB
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human thrombin |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066632
(3-[6-(3-Dimethylamino-phenoxy)-3,5-difluoro-4-meth...)Show SMILES CN(C)c1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(C)c2F)c1 Show InChI InChI=1S/C21H20F2N4O2/c1-12-17(22)20(28-15-8-4-6-13(10-15)19(24)25)26-21(18(12)23)29-16-9-5-7-14(11-16)27(2)3/h4-11H,1-3H3,(H3,24,25) | PDB
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| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50066636
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-[3-(1-meth...)Show SMILES Cn1ccnc1-c1cccc(Oc2cc(cc(Oc3cc(ccc3O)C(N)=N)n2)C(O)=O)c1 Show InChI InChI=1S/C23H19N5O5/c1-28-8-7-26-22(28)14-3-2-4-16(9-14)32-19-11-15(23(30)31)12-20(27-19)33-18-10-13(21(24)25)5-6-17(18)29/h2-12,29H,1H3,(H3,24,25)(H,30,31) | PDB
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| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human thrombin |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50066634
((4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-difl...)Show SMILES CCOC(=O)CN1CCC(CC1)Oc1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:26| Show InChI InChI=1S/C31H34F2N6O6/c1-3-42-24(41)17-39-12-9-20(10-13-39)43-27-25(32)30(44-21-6-4-5-19(15-21)29-36-11-14-38(29)2)37-31(26(27)33)45-23-16-18(28(34)35)7-8-22(23)40/h4-8,15-16,20,40H,3,9-14,17H2,1-2H3,(H3,34,35) | PDB
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| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human thrombin |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50066625
(CHEMBL120438 | {4-[2-(5-Carbamimidoyl-2-hydroxy-ph...)Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(OC3CCN(CC(O)=O)CC3)c2F)c1 Show InChI InChI=1S/C28H29F2N5O7/c1-34(2)28(39)16-4-3-5-18(12-16)41-26-22(29)24(40-17-8-10-35(11-9-17)14-21(37)38)23(30)27(33-26)42-20-13-15(25(31)32)6-7-19(20)36/h3-7,12-13,17,36H,8-11,14H2,1-2H3,(H3,31,32)(H,37,38) | PDB
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| 192 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human thrombin |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50066637
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-[3-(1-meth...)Show SMILES CN1CCN=C1c1cccc(Oc2cc(cc(Oc3cc(ccc3O)C(N)=N)n2)C(O)=O)c1 |c:4| Show InChI InChI=1S/C23H21N5O5/c1-28-8-7-26-22(28)14-3-2-4-16(9-14)32-19-11-15(23(30)31)12-20(27-19)33-18-10-13(21(24)25)5-6-17(18)29/h2-6,9-12,29H,7-8H2,1H3,(H3,24,25)(H,30,31) | PDB
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| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against bovine trypsin. |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50066619
(({2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-difluo...)Show SMILES CCOC(=O)CN(C)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:20| Show InChI InChI=1S/C27H28F2N6O5/c1-4-38-20(37)14-35(3)23-21(28)26(39-17-7-5-6-16(12-17)25-32-10-11-34(25)2)33-27(22(23)29)40-19-13-15(24(30)31)8-9-18(19)36/h5-9,12-13,36H,4,10-11,14H2,1-3H3,(H3,30,31) | PDB
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| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against bovine trypsin. |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50066641
((2S,4R)-4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3...)Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(O[C@H]3CN[C@@H](C3)C(O)=O)c2F)c1 |c:4| Show InChI InChI=1S/C27H26F2N6O6/c1-35-8-7-32-24(35)14-3-2-4-15(9-14)40-25-20(28)22(39-16-11-17(27(37)38)33-12-16)21(29)26(34-25)41-19-10-13(23(30)31)5-6-18(19)36/h2-6,9-10,16-17,33,36H,7-8,11-12H2,1H3,(H3,30,31)(H,37,38)/t16-,17+/m1/s1 | PDB
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| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human thrombin |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50066628
((2S,4R)-4-[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6...)Show SMILES CCOC(=O)[C@@H]1C[C@H](CN1)Oc1c(F)c(Oc2cccc(c2)C(=O)N(C)C)nc(Oc2cc(ccc2O)C(N)=N)c1F Show InChI InChI=1S/C28H29F2N5O7/c1-4-39-28(38)18-12-17(13-33-18)40-23-21(29)25(41-16-7-5-6-15(10-16)27(37)35(2)3)34-26(22(23)30)42-20-11-14(24(31)32)8-9-19(20)36/h5-11,17-18,33,36H,4,12-13H2,1-3H3,(H3,31,32)/t17-,18+/m1/s1 | PDB
UniProtKB/SwissProt
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PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human thrombin |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066624
(3-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-meth...)Show SMILES Cc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2cccc(c2)C(N)=O)c1F Show InChI InChI=1S/C20H16F2N4O3/c1-10-15(21)19(28-13-6-2-4-11(8-13)17(23)24)26-20(16(10)22)29-14-7-3-5-12(9-14)18(25)27/h2-9H,1H3,(H3,23,24)(H2,25,27) | PDB
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| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM17284
(2-{[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-diflu...)Show SMILES CN(CC(O)=O)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:18| Show InChI InChI=1S/C25H24F2N6O5/c1-32-9-8-30-23(32)14-4-3-5-15(10-14)37-24-19(26)21(33(2)12-18(35)36)20(27)25(31-24)38-17-11-13(22(28)29)6-7-16(17)34/h3-7,10-11,34H,8-9,12H2,1-2H3,(H3,28,29)(H,35,36) | PDB
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| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against bovine trypsin. |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50066622
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-(3-dimethy...)Show SMILES CN(C)C(=O)c1cccc(Oc2cc(cc(Oc3cc(ccc3O)C(N)=N)n2)C(O)=O)c1 Show InChI InChI=1S/C22H20N4O6/c1-26(2)21(28)13-4-3-5-15(8-13)31-18-10-14(22(29)30)11-19(25-18)32-17-9-12(20(23)24)6-7-16(17)27/h3-11,27H,1-2H3,(H3,23,24)(H,29,30) | PDB
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against bovine trypsin. |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50066634
((4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-difl...)Show SMILES CCOC(=O)CN1CCC(CC1)Oc1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:26| Show InChI InChI=1S/C31H34F2N6O6/c1-3-42-24(41)17-39-12-9-20(10-13-39)43-27-25(32)30(44-21-6-4-5-19(15-21)29-36-11-14-38(29)2)37-31(26(27)33)45-23-16-18(28(34)35)7-8-22(23)40/h4-8,15-16,20,40H,3,9-14,17H2,1-2H3,(H3,34,35) | PDB
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against bovine trypsin. |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50066641
((2S,4R)-4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3...)Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(O[C@H]3CN[C@@H](C3)C(O)=O)c2F)c1 |c:4| Show InChI InChI=1S/C27H26F2N6O6/c1-35-8-7-32-24(35)14-3-2-4-15(9-14)40-25-20(28)22(39-16-11-17(27(37)38)33-12-16)21(29)26(34-25)41-19-10-13(23(30)31)5-6-18(19)36/h2-6,9-10,16-17,33,36H,7-8,11-12H2,1H3,(H3,30,31)(H,37,38)/t16-,17+/m1/s1 | PDB
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| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against bovine trypsin. |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50066639
((2S,4R)-4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3...)Show SMILES CCOC(=O)[C@@H]1C[C@H](CN1)Oc1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:24| Show InChI InChI=1S/C29H30F2N6O6/c1-3-40-29(39)19-13-18(14-35-19)41-24-22(30)27(42-17-6-4-5-16(11-17)26-34-9-10-37(26)2)36-28(23(24)31)43-21-12-15(25(32)33)7-8-20(21)38/h4-8,11-12,18-19,35,38H,3,9-10,13-14H2,1-2H3,(H3,32,33)/t18-,19+/m1/s1 | PDB
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| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against bovine trypsin. |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50066635
((4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-difl...)Show SMILES CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(OC3CCN(CC(O)=O)CC3)c2F)c1 |c:4| Show InChI InChI=1S/C29H30F2N6O6/c1-36-12-9-34-27(36)17-3-2-4-19(13-17)42-28-23(30)25(41-18-7-10-37(11-8-18)15-22(39)40)24(31)29(35-28)43-21-14-16(26(32)33)5-6-20(21)38/h2-6,13-14,18,38H,7-12,15H2,1H3,(H3,32,33)(H,39,40) | PDB
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| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against bovine trypsin. |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066618
(4-{6-[4-amino(imino)methylphenoxy]-2-pyridyloxy}ph...)Show SMILES NC(=N)c1ccc(Oc2cccc(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C19H17N5O2/c20-18(21)12-4-8-14(9-5-12)25-16-2-1-3-17(24-16)26-15-10-6-13(7-11-15)19(22)23/h1-11H,(H3,20,21)(H3,22,23) | PDB
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| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM17277
((Z,Z)BABCH | 4-{[(1Z,3Z)-3-[(4-carbamimidoylphenyl...)Show SMILES NC(=N)c1ccc(\C=C2\CCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1 Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13-,20-14- | PDB
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| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human thrombin |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50066627
(3-[6-(2-Amino-5-carbamimidoyl-phenoxy)-3,5-difluor...)Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3N)C(N)=N)c(F)c(C)c2F)c1 Show InChI InChI=1S/C22H21F2N5O3/c1-11-17(23)20(31-14-6-4-5-13(9-14)22(30)29(2)3)28-21(18(11)24)32-16-10-12(19(26)27)7-8-15(16)25/h4-10H,25H2,1-3H3,(H3,26,27) | PDB
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| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against bovine trypsin. |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50066618
(4-{6-[4-amino(imino)methylphenoxy]-2-pyridyloxy}ph...)Show SMILES NC(=N)c1ccc(Oc2cccc(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C19H17N5O2/c20-18(21)12-4-8-14(9-5-12)25-16-2-1-3-17(24-16)26-15-10-6-13(7-11-15)19(22)23/h1-11H,(H3,20,21)(H3,22,23) | PDB
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| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human thrombin |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50066620
(2,6-Bis-(3-carbamimidoyl-phenoxy)-isonicotinic aci...)Show SMILES NC(=N)c1cccc(Oc2cc(cc(Oc3cccc(c3)C(N)=N)n2)C(O)=O)c1 Show InChI InChI=1S/C20H17N5O4/c21-18(22)11-3-1-5-14(7-11)28-16-9-13(20(26)27)10-17(25-16)29-15-6-2-4-12(8-15)19(23)24/h1-10H,(H3,21,22)(H3,23,24)(H,26,27) | PDB
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| 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against bovine trypsin. |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066631
(4-[3,5-Dichloro-6-(4-diaminomethyl-phenoxy)-pyridi...)Show SMILES NC(=N)c1ccc(Oc2nc(Oc3ccc(cc3)C(N)=N)c(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H15Cl2N5O2/c20-14-9-15(21)19(28-13-7-3-11(4-8-13)17(24)25)26-18(14)27-12-5-1-10(2-6-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25) | PDB
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| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50066619
(({2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-difluo...)Show SMILES CCOC(=O)CN(C)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:20| Show InChI InChI=1S/C27H28F2N6O5/c1-4-38-20(37)14-35(3)23-21(28)26(39-17-7-5-6-16(12-17)25-32-10-11-34(25)2)33-27(22(23)29)40-19-13-15(24(30)31)8-9-18(19)36/h5-9,12-13,36H,4,10-11,14H2,1-3H3,(H3,30,31) | PDB
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| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human thrombin |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066644
(3-[6-(3-Dimethylaminomethyl-phenoxy)-3,5-difluoro-...)Show SMILES CN(C)Cc1cccc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(C)c2F)c1 Show InChI InChI=1S/C22H22F2N4O2/c1-13-18(23)21(29-16-8-4-6-14(10-16)12-28(2)3)27-22(19(13)24)30-17-9-5-7-15(11-17)20(25)26/h4-11H,12H2,1-3H3,(H3,25,26) | PDB
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| 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibitory potency was measured against human coagulation factor X |
J Med Chem 41: 3557-62 (1998)
Article DOI: 10.1021/jm980280h
BindingDB Entry DOI: 10.7270/Q2KS6QPR |
More data for this
Ligand-Target Pair | |
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