Found 66 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)) | BDBM50103666
(2-(3-Carbamimidoyl-phenoxy)-2-phenyl-N-[4-(pyrroli...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2)C(=O)N2CCCC2)c2ccccc2)c1 Show InChI InChI=1S/C26H26N4O3/c27-24(28)20-9-6-10-22(17-20)33-23(18-7-2-1-3-8-18)25(31)29-21-13-11-19(12-14-21)26(32)30-15-4-5-16-30/h1-3,6-14,17,23H,4-5,15-16H2,(H3,27,28)(H,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103665
(2-(3-Carbamimidoyl-phenoxy)-2-phenyl-N-(2'-sulfamo...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c2ccccc2)c1 Show InChI InChI=1S/C27H24N4O4S/c28-26(29)20-9-6-10-22(17-20)35-25(19-7-2-1-3-8-19)27(32)31-21-15-13-18(14-16-21)23-11-4-5-12-24(23)36(30,33)34/h1-17,25H,(H3,28,29)(H,31,32)(H2,30,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103676
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-N-[4-(pyrrol...)Show SMILES NC(=N)c1ccc(O)c(OCC(=O)Nc2ccc(cc2)C(=O)N2CCCC2)c1 Show InChI InChI=1S/C20H22N4O4/c21-19(22)14-5-8-16(25)17(11-14)28-12-18(26)23-15-6-3-13(4-7-15)20(27)24-9-1-2-10-24/h3-8,11,25H,1-2,9-10,12H2,(H3,21,22)(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103684
(CHEMBL75333 | N-[2-Bromo-4-(pyrrolidine-1-carbonyl...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2Br)C(=O)N2CCCC2)c2ccccc2)c1 Show InChI InChI=1S/C26H25BrN4O3/c27-21-16-19(26(33)31-13-4-5-14-31)11-12-22(21)30-25(32)23(17-7-2-1-3-8-17)34-20-10-6-9-18(15-20)24(28)29/h1-3,6-12,15-16,23H,4-5,13-14H2,(H3,28,29)(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103671
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-N-(2'-sulfam...)Show SMILES NC(=N)c1ccc(O)c(OCC(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1 Show InChI InChI=1S/C21H20N4O5S/c22-21(23)14-7-10-17(26)18(11-14)30-12-20(27)25-15-8-5-13(6-9-15)16-3-1-2-4-19(16)31(24,28)29/h1-11,26H,12H2,(H3,22,23)(H,25,27)(H2,24,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103680
(CHEMBL75287 | N-(3-Bromo-2'-sulfamoyl-biphenyl-4-y...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2Br)-c2ccccc2S(N)(=O)=O)c2ccccc2)c1 Show InChI InChI=1S/C27H23BrN4O4S/c28-22-16-18(21-11-4-5-12-24(21)37(31,34)35)13-14-23(22)32-27(33)25(17-7-2-1-3-8-17)36-20-10-6-9-19(15-20)26(29)30/h1-16,25H,(H3,29,30)(H,32,33)(H2,31,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103667
(2-(3-Carbamimidoyl-phenoxy)-N-(3-fluoro-4-morpholi...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)c1 Show InChI InChI=1S/C25H25FN4O3/c26-21-16-19(9-10-22(21)30-11-13-32-14-12-30)29-25(31)23(17-5-2-1-3-6-17)33-20-8-4-7-18(15-20)24(27)28/h1-10,15-16,23H,11-14H2,(H3,27,28)(H,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103672
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(2,5-dihydro-pyrr...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CC=CC2)c1 |c:24| Show InChI InChI=1S/C20H20N4O3/c21-19(22)15-4-3-5-17(12-15)27-13-18(25)23-16-8-6-14(7-9-16)20(26)24-10-1-2-11-24/h1-9,12H,10-11,13H2,(H3,21,22)(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103681
(3-(3-Carbamimidoyl-phenoxy)-N-(2'-sulfamoyl-biphen...)Show SMILES NC(=N)c1cccc(OCCC(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1 Show InChI InChI=1S/C22H22N4O4S/c23-22(24)16-4-3-5-18(14-16)30-13-12-21(27)26-17-10-8-15(9-11-17)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103674
(2-(3-Carbamimidoyl-phenoxy)-N-(3-fluoro-2'-sulfamo...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2F)-c2ccccc2S(N)(=O)=O)c2ccccc2)c1 Show InChI InChI=1S/C27H23FN4O4S/c28-22-16-18(21-11-4-5-12-24(21)37(31,34)35)13-14-23(22)32-27(33)25(17-7-2-1-3-8-17)36-20-10-6-9-19(15-20)26(29)30/h1-16,25H,(H3,29,30)(H,32,33)(H2,31,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103664
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(4,5-dichloro-imi...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2)-n2cnc(Cl)c2Cl)c2ccccc2)c1 Show InChI InChI=1S/C24H19Cl2N5O2/c25-21-22(26)31(14-29-21)18-11-9-17(10-12-18)30-24(32)20(15-5-2-1-3-6-15)33-19-8-4-7-16(13-19)23(27)28/h1-14,20H,(H3,27,28)(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103678
(2-(3-Carbamimidoyl-phenoxy)-N-(2'-sulfamoyl-biphen...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1 Show InChI InChI=1S/C21H20N4O4S/c22-21(23)15-4-3-5-17(12-15)29-13-20(26)25-16-10-8-14(9-11-16)18-6-1-2-7-19(18)30(24,27)28/h1-12H,13H2,(H3,22,23)(H,25,26)(H2,24,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103669
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(pyrrolidine-1-ca...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCCC2)c1 Show InChI InChI=1S/C20H22N4O3/c21-19(22)15-4-3-5-17(12-15)27-13-18(25)23-16-8-6-14(7-9-16)20(26)24-10-1-2-11-24/h3-9,12H,1-2,10-11,13H2,(H3,21,22)(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103677
(2-(3-Carbamimidoyl-phenoxy)-N-(2,5-dichloro-4-pyrr...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2cc(Cl)c(cc2Cl)-n2cccc2)c2ccccc2)c1 Show InChI InChI=1S/C25H20Cl2N4O2/c26-19-15-22(31-11-4-5-12-31)20(27)14-21(19)30-25(32)23(16-7-2-1-3-8-16)33-18-10-6-9-17(13-18)24(28)29/h1-15,23H,(H3,28,29)(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103668
(2-(3-Carbamimidoyl-phenoxy)-2-phenyl-N-[4-(3-trifl...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2)-n2ccc(n2)C(F)(F)F)c2ccccc2)c1 Show InChI InChI=1S/C25H20F3N5O2/c26-25(27,28)21-13-14-33(32-21)19-11-9-18(10-12-19)31-24(34)22(16-5-2-1-3-6-16)35-20-8-4-7-17(15-20)23(29)30/h1-15,22H,(H3,29,30)(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103666
(2-(3-Carbamimidoyl-phenoxy)-2-phenyl-N-[4-(pyrroli...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2)C(=O)N2CCCC2)c2ccccc2)c1 Show InChI InChI=1S/C26H26N4O3/c27-24(28)20-9-6-10-22(17-20)33-23(18-7-2-1-3-8-18)25(31)29-21-13-11-19(12-14-21)26(32)30-15-4-5-16-30/h1-3,6-14,17,23H,4-5,15-16H2,(H3,27,28)(H,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103682
(CHEMBL74808 | N-[4-(Azetidine-1-carbonyl)-phenyl]-...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCC2)c1 Show InChI InChI=1S/C19H20N4O3/c20-18(21)14-3-1-4-16(11-14)26-12-17(24)22-15-7-5-13(6-8-15)19(25)23-9-2-10-23/h1,3-8,11H,2,9-10,12H2,(H3,20,21)(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 227 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103676
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-N-[4-(pyrrol...)Show SMILES NC(=N)c1ccc(O)c(OCC(=O)Nc2ccc(cc2)C(=O)N2CCCC2)c1 Show InChI InChI=1S/C20H22N4O4/c21-19(22)14-5-8-16(25)17(11-14)28-12-18(26)23-15-6-3-13(4-7-15)20(27)24-9-1-2-10-24/h3-8,11,25H,1-2,9-10,12H2,(H3,21,22)(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 283 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103684
(CHEMBL75333 | N-[2-Bromo-4-(pyrrolidine-1-carbonyl...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2Br)C(=O)N2CCCC2)c2ccccc2)c1 Show InChI InChI=1S/C26H25BrN4O3/c27-21-16-19(26(33)31-13-4-5-14-31)11-12-22(21)30-25(32)23(17-7-2-1-3-8-17)34-20-10-6-9-18(15-20)24(28)29/h1-3,6-12,15-16,23H,4-5,13-14H2,(H3,28,29)(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 521 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103672
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(2,5-dihydro-pyrr...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CC=CC2)c1 |c:24| Show InChI InChI=1S/C20H20N4O3/c21-19(22)15-4-3-5-17(12-15)27-13-18(25)23-16-8-6-14(7-9-16)20(26)24-10-1-2-11-24/h1-9,12H,10-11,13H2,(H3,21,22)(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 875 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103685
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(morpholine-4-car...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)c1 Show InChI InChI=1S/C20H22N4O4/c21-19(22)15-2-1-3-17(12-15)28-13-18(25)23-16-6-4-14(5-7-16)20(26)24-8-10-27-11-9-24/h1-7,12H,8-11,13H2,(H3,21,22)(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103673
(CHEMBL72971 | N-[4-(Azepane-1-carbonyl)-phenyl]-2-...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCCCCC2)c1 Show InChI InChI=1S/C22H26N4O3/c23-21(24)17-6-5-7-19(14-17)29-15-20(27)25-18-10-8-16(9-11-18)22(28)26-12-3-1-2-4-13-26/h5-11,14H,1-4,12-13,15H2,(H3,23,24)(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103665
(2-(3-Carbamimidoyl-phenoxy)-2-phenyl-N-(2'-sulfamo...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c2ccccc2)c1 Show InChI InChI=1S/C27H24N4O4S/c28-26(29)20-9-6-10-22(17-20)35-25(19-7-2-1-3-8-19)27(32)31-21-15-13-18(14-16-21)23-11-4-5-12-24(23)36(30,33)34/h1-17,25H,(H3,28,29)(H,31,32)(H2,30,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103679
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(piperidine-1-car...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCCCC2)c1 Show InChI InChI=1S/C21H24N4O3/c22-20(23)16-5-4-6-18(13-16)28-14-19(26)24-17-9-7-15(8-10-17)21(27)25-11-2-1-3-12-25/h4-10,13H,1-3,11-12,14H2,(H3,22,23)(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103682
(CHEMBL74808 | N-[4-(Azetidine-1-carbonyl)-phenyl]-...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCC2)c1 Show InChI InChI=1S/C19H20N4O3/c20-18(21)14-3-1-4-16(11-14)26-12-17(24)22-15-7-5-13(6-8-15)19(25)23-9-2-10-23/h1,3-8,11H,2,9-10,12H2,(H3,20,21)(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103671
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-N-(2'-sulfam...)Show SMILES NC(=N)c1ccc(O)c(OCC(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1 Show InChI InChI=1S/C21H20N4O5S/c22-21(23)14-7-10-17(26)18(11-14)30-12-20(27)25-15-8-5-13(6-9-15)16-3-1-2-4-19(16)31(24,28)29/h1-11,26H,12H2,(H3,22,23)(H,25,27)(H2,24,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103681
(3-(3-Carbamimidoyl-phenoxy)-N-(2'-sulfamoyl-biphen...)Show SMILES NC(=N)c1cccc(OCCC(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1 Show InChI InChI=1S/C22H22N4O4S/c23-22(24)16-4-3-5-18(14-16)30-13-12-21(27)26-17-10-8-15(9-11-17)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103669
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(pyrrolidine-1-ca...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCCC2)c1 Show InChI InChI=1S/C20H22N4O3/c21-19(22)15-4-3-5-17(12-15)27-13-18(25)23-16-8-6-14(7-9-16)20(26)24-10-1-2-11-24/h3-9,12H,1-2,10-11,13H2,(H3,21,22)(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103683
(1-{4-[2-(3-Carbamimidoyl-phenoxy)-acetylamino]-ben...)Show SMILES CC(C)(C)OC(=O)C1CCCN1C(=O)c1ccc(NC(=O)COc2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C25H30N4O5/c1-25(2,3)34-24(32)20-8-5-13-29(20)23(31)16-9-11-18(12-10-16)28-21(30)15-33-19-7-4-6-17(14-19)22(26)27/h4,6-7,9-12,14,20H,5,8,13,15H2,1-3H3,(H3,26,27)(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103678
(2-(3-Carbamimidoyl-phenoxy)-N-(2'-sulfamoyl-biphen...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1 Show InChI InChI=1S/C21H20N4O4S/c22-21(23)15-4-3-5-17(12-15)29-13-20(26)25-16-10-8-14(9-11-16)18-6-1-2-7-19(18)30(24,27)28/h1-12H,13H2,(H3,22,23)(H,25,26)(H2,24,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103680
(CHEMBL75287 | N-(3-Bromo-2'-sulfamoyl-biphenyl-4-y...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2Br)-c2ccccc2S(N)(=O)=O)c2ccccc2)c1 Show InChI InChI=1S/C27H23BrN4O4S/c28-22-16-18(21-11-4-5-12-24(21)37(31,34)35)13-14-23(22)32-27(33)25(17-7-2-1-3-8-17)36-20-10-6-9-19(15-20)26(29)30/h1-16,25H,(H3,29,30)(H,32,33)(H2,31,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103677
(2-(3-Carbamimidoyl-phenoxy)-N-(2,5-dichloro-4-pyrr...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2cc(Cl)c(cc2Cl)-n2cccc2)c2ccccc2)c1 Show InChI InChI=1S/C25H20Cl2N4O2/c26-19-15-22(31-11-4-5-12-31)20(27)14-21(19)30-25(32)23(16-7-2-1-3-8-16)33-18-10-6-9-17(13-18)24(28)29/h1-15,23H,(H3,28,29)(H,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 4.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103664
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(4,5-dichloro-imi...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2)-n2cnc(Cl)c2Cl)c2ccccc2)c1 Show InChI InChI=1S/C24H19Cl2N5O2/c25-21-22(26)31(14-29-21)18-11-9-17(10-12-18)30-24(32)20(15-5-2-1-3-6-15)33-19-8-4-7-16(13-19)23(27)28/h1-14,20H,(H3,27,28)(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 5.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103683
(1-{4-[2-(3-Carbamimidoyl-phenoxy)-acetylamino]-ben...)Show SMILES CC(C)(C)OC(=O)C1CCCN1C(=O)c1ccc(NC(=O)COc2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C25H30N4O5/c1-25(2,3)34-24(32)20-8-5-13-29(20)23(31)16-9-11-18(12-10-16)28-21(30)15-33-19-7-4-6-17(14-19)22(26)27/h4,6-7,9-12,14,20H,5,8,13,15H2,1-3H3,(H3,26,27)(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103680
(CHEMBL75287 | N-(3-Bromo-2'-sulfamoyl-biphenyl-4-y...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2Br)-c2ccccc2S(N)(=O)=O)c2ccccc2)c1 Show InChI InChI=1S/C27H23BrN4O4S/c28-22-16-18(21-11-4-5-12-24(21)37(31,34)35)13-14-23(22)32-27(33)25(17-7-2-1-3-8-17)36-20-10-6-9-19(15-20)26(29)30/h1-16,25H,(H3,29,30)(H,32,33)(H2,31,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103677
(2-(3-Carbamimidoyl-phenoxy)-N-(2,5-dichloro-4-pyrr...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2cc(Cl)c(cc2Cl)-n2cccc2)c2ccccc2)c1 Show InChI InChI=1S/C25H20Cl2N4O2/c26-19-15-22(31-11-4-5-12-31)20(27)14-21(19)30-25(32)23(16-7-2-1-3-8-16)33-18-10-6-9-17(13-18)24(28)29/h1-15,23H,(H3,28,29)(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 8.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103674
(2-(3-Carbamimidoyl-phenoxy)-N-(3-fluoro-2'-sulfamo...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2F)-c2ccccc2S(N)(=O)=O)c2ccccc2)c1 Show InChI InChI=1S/C27H23FN4O4S/c28-22-16-18(21-11-4-5-12-24(21)37(31,34)35)13-14-23(22)32-27(33)25(17-7-2-1-3-8-17)36-20-10-6-9-19(15-20)26(29)30/h1-16,25H,(H3,29,30)(H,32,33)(H2,31,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103681
(3-(3-Carbamimidoyl-phenoxy)-N-(2'-sulfamoyl-biphen...)Show SMILES NC(=N)c1cccc(OCCC(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1 Show InChI InChI=1S/C22H22N4O4S/c23-22(24)16-4-3-5-18(14-16)30-13-12-21(27)26-17-10-8-15(9-11-17)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103670
(1-{4-[2-(3-Carbamimidoyl-phenoxy)-acetylamino]-ben...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCCC2C(O)=O)c1 Show InChI InChI=1S/C21H22N4O5/c22-19(23)14-3-1-4-16(11-14)30-12-18(26)24-15-8-6-13(7-9-15)20(27)25-10-2-5-17(25)21(28)29/h1,3-4,6-9,11,17H,2,5,10,12H2,(H3,22,23)(H,24,26)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103671
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-N-(2'-sulfam...)Show SMILES NC(=N)c1ccc(O)c(OCC(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1 Show InChI InChI=1S/C21H20N4O5S/c22-21(23)14-7-10-17(26)18(11-14)30-12-20(27)25-15-8-5-13(6-9-15)16-3-1-2-4-19(16)31(24,28)29/h1-11,26H,12H2,(H3,22,23)(H,25,27)(H2,24,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103668
(2-(3-Carbamimidoyl-phenoxy)-2-phenyl-N-[4-(3-trifl...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2)-n2ccc(n2)C(F)(F)F)c2ccccc2)c1 Show InChI InChI=1S/C25H20F3N5O2/c26-25(27,28)21-13-14-33(32-21)19-11-9-18(10-12-19)31-24(34)22(16-5-2-1-3-6-16)35-20-8-4-7-17(15-20)23(29)30/h1-15,22H,(H3,29,30)(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103668
(2-(3-Carbamimidoyl-phenoxy)-2-phenyl-N-[4-(3-trifl...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2)-n2ccc(n2)C(F)(F)F)c2ccccc2)c1 Show InChI InChI=1S/C25H20F3N5O2/c26-25(27,28)21-13-14-33(32-21)19-11-9-18(10-12-19)31-24(34)22(16-5-2-1-3-6-16)35-20-8-4-7-17(15-20)23(29)30/h1-15,22H,(H3,29,30)(H,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103675
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(4-methyl-piperaz...)Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)COc2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C21H25N5O3/c1-25-9-11-26(12-10-25)21(28)15-5-7-17(8-6-15)24-19(27)14-29-18-4-2-3-16(13-18)20(22)23/h2-8,13H,9-12,14H2,1H3,(H3,22,23)(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103685
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(morpholine-4-car...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)c1 Show InChI InChI=1S/C20H22N4O4/c21-19(22)15-2-1-3-17(12-15)28-13-18(25)23-16-6-4-14(5-7-16)20(26)24-8-10-27-11-9-24/h1-7,12H,8-11,13H2,(H3,21,22)(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103665
(2-(3-Carbamimidoyl-phenoxy)-2-phenyl-N-(2'-sulfamo...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c2ccccc2)c1 Show InChI InChI=1S/C27H24N4O4S/c28-26(29)20-9-6-10-22(17-20)35-25(19-7-2-1-3-8-19)27(32)31-21-15-13-18(14-16-21)23-11-4-5-12-24(23)36(30,33)34/h1-17,25H,(H3,28,29)(H,31,32)(H2,30,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103667
(2-(3-Carbamimidoyl-phenoxy)-N-(3-fluoro-4-morpholi...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)c1 Show InChI InChI=1S/C25H25FN4O3/c26-21-16-19(9-10-22(21)30-11-13-32-14-12-30)29-25(31)23(17-5-2-1-3-6-17)33-20-8-4-7-18(15-20)24(27)28/h1-10,15-16,23H,11-14H2,(H3,27,28)(H,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103669
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(pyrrolidine-1-ca...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCCC2)c1 Show InChI InChI=1S/C20H22N4O3/c21-19(22)15-4-3-5-17(12-15)27-13-18(25)23-16-8-6-14(7-9-16)20(26)24-10-1-2-11-24/h3-9,12H,1-2,10-11,13H2,(H3,21,22)(H,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103675
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(4-methyl-piperaz...)Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)COc2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C21H25N5O3/c1-25-9-11-26(12-10-25)21(28)15-5-7-17(8-6-15)24-19(27)14-29-18-4-2-3-16(13-18)20(22)23/h2-8,13H,9-12,14H2,1H3,(H3,22,23)(H,24,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103667
(2-(3-Carbamimidoyl-phenoxy)-N-(3-fluoro-4-morpholi...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)c1 Show InChI InChI=1S/C25H25FN4O3/c26-21-16-19(9-10-22(21)30-11-13-32-14-12-30)29-25(31)23(17-5-2-1-3-6-17)33-20-8-4-7-18(15-20)24(27)28/h1-10,15-16,23H,11-14H2,(H3,27,28)(H,29,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103666
(2-(3-Carbamimidoyl-phenoxy)-2-phenyl-N-[4-(pyrroli...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2)C(=O)N2CCCC2)c2ccccc2)c1 Show InChI InChI=1S/C26H26N4O3/c27-24(28)20-9-6-10-22(17-20)33-23(18-7-2-1-3-8-18)25(31)29-21-13-11-19(12-14-21)26(32)30-15-4-5-16-30/h1-3,6-14,17,23H,4-5,15-16H2,(H3,27,28)(H,29,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103679
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(piperidine-1-car...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCCCC2)c1 Show InChI InChI=1S/C21H24N4O3/c22-20(23)16-5-4-6-18(13-16)28-14-19(26)24-17-9-7-15(8-10-17)21(27)25-11-2-1-3-12-25/h4-10,13H,1-3,11-12,14H2,(H3,22,23)(H,24,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50103670
(1-{4-[2-(3-Carbamimidoyl-phenoxy)-acetylamino]-ben...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCCC2C(O)=O)c1 Show InChI InChI=1S/C21H22N4O5/c22-19(23)14-3-1-4-16(11-14)30-12-18(26)24-15-8-6-13(7-9-15)20(27)25-10-2-5-17(25)21(28)29/h1,3-4,6-9,11,17H,2,5,10,12H2,(H3,22,23)(H,24,26)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor X |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103664
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(4,5-dichloro-imi...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2)-n2cnc(Cl)c2Cl)c2ccccc2)c1 Show InChI InChI=1S/C24H19Cl2N5O2/c25-21-22(26)31(14-29-21)18-11-9-17(10-12-18)30-24(32)20(15-5-2-1-3-6-15)33-19-8-4-7-16(13-19)23(27)28/h1-14,20H,(H3,27,28)(H,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103685
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(morpholine-4-car...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)c1 Show InChI InChI=1S/C20H22N4O4/c21-19(22)15-2-1-3-17(12-15)28-13-18(25)23-16-6-4-14(5-7-16)20(26)24-8-10-27-11-9-24/h1-7,12H,8-11,13H2,(H3,21,22)(H,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103676
(2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-N-[4-(pyrrol...)Show SMILES NC(=N)c1ccc(O)c(OCC(=O)Nc2ccc(cc2)C(=O)N2CCCC2)c1 Show InChI InChI=1S/C20H22N4O4/c21-19(22)14-5-8-16(25)17(11-14)28-12-18(26)23-15-6-3-13(4-7-15)20(27)24-9-1-2-10-24/h3-8,11,25H,1-2,9-10,12H2,(H3,21,22)(H,23,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103683
(1-{4-[2-(3-Carbamimidoyl-phenoxy)-acetylamino]-ben...)Show SMILES CC(C)(C)OC(=O)C1CCCN1C(=O)c1ccc(NC(=O)COc2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C25H30N4O5/c1-25(2,3)34-24(32)20-8-5-13-29(20)23(31)16-9-11-18(12-10-16)28-21(30)15-33-19-7-4-6-17(14-19)22(26)27/h4,6-7,9-12,14,20H,5,8,13,15H2,1-3H3,(H3,26,27)(H,28,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103682
(CHEMBL74808 | N-[4-(Azetidine-1-carbonyl)-phenyl]-...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCC2)c1 Show InChI InChI=1S/C19H20N4O3/c20-18(21)14-3-1-4-16(11-14)26-12-17(24)22-15-7-5-13(6-8-15)19(25)23-9-2-10-23/h1,3-8,11H,2,9-10,12H2,(H3,20,21)(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103673
(CHEMBL72971 | N-[4-(Azepane-1-carbonyl)-phenyl]-2-...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCCCCC2)c1 Show InChI InChI=1S/C22H26N4O3/c23-21(24)17-6-5-7-19(14-17)29-15-20(27)25-18-10-8-16(9-11-18)22(28)26-12-3-1-2-4-13-26/h5-11,14H,1-4,12-13,15H2,(H3,23,24)(H,25,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103679
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(piperidine-1-car...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCCCC2)c1 Show InChI InChI=1S/C21H24N4O3/c22-20(23)16-5-4-6-18(13-16)28-14-19(26)24-17-9-7-15(8-10-17)21(27)25-11-2-1-3-12-25/h4-10,13H,1-3,11-12,14H2,(H3,22,23)(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103674
(2-(3-Carbamimidoyl-phenoxy)-N-(3-fluoro-2'-sulfamo...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2F)-c2ccccc2S(N)(=O)=O)c2ccccc2)c1 Show InChI InChI=1S/C27H23FN4O4S/c28-22-16-18(21-11-4-5-12-24(21)37(31,34)35)13-14-23(22)32-27(33)25(17-7-2-1-3-8-17)36-20-10-6-9-19(15-20)26(29)30/h1-16,25H,(H3,29,30)(H,32,33)(H2,31,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103670
(1-{4-[2-(3-Carbamimidoyl-phenoxy)-acetylamino]-ben...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCCC2C(O)=O)c1 Show InChI InChI=1S/C21H22N4O5/c22-19(23)14-3-1-4-16(11-14)30-12-18(26)24-15-8-6-13(7-9-15)20(27)25-10-2-5-17(25)21(28)29/h1,3-4,6-9,11,17H,2,5,10,12H2,(H3,22,23)(H,24,26)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103678
(2-(3-Carbamimidoyl-phenoxy)-N-(2'-sulfamoyl-biphen...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1 Show InChI InChI=1S/C21H20N4O4S/c22-21(23)15-4-3-5-17(12-15)29-13-20(26)25-16-10-8-14(9-11-16)18-6-1-2-7-19(18)30(24,27)28/h1-12H,13H2,(H3,22,23)(H,25,26)(H2,24,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103684
(CHEMBL75333 | N-[2-Bromo-4-(pyrrolidine-1-carbonyl...)Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2ccc(cc2Br)C(=O)N2CCCC2)c2ccccc2)c1 Show InChI InChI=1S/C26H25BrN4O3/c27-21-16-19(26(33)31-13-4-5-14-31)11-12-22(21)30-25(32)23(17-7-2-1-3-8-17)34-20-10-6-9-18(15-20)24(28)29/h1-3,6-12,15-16,23H,4-5,13-14H2,(H3,28,29)(H,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103673
(CHEMBL72971 | N-[4-(Azepane-1-carbonyl)-phenyl]-2-...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CCCCCC2)c1 Show InChI InChI=1S/C22H26N4O3/c23-21(24)17-6-5-7-19(14-17)29-15-20(27)25-18-10-8-16(9-11-18)22(28)26-12-3-1-2-4-13-26/h5-11,14H,1-4,12-13,15H2,(H3,23,24)(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50103675
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(4-methyl-piperaz...)Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)COc2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C21H25N5O3/c1-25-9-11-26(12-10-25)21(28)15-5-7-17(8-6-15)24-19(27)14-29-18-4-2-3-16(13-18)20(22)23/h2-8,13H,9-12,14H2,1H3,(H3,22,23)(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against trypsin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50103672
(2-(3-Carbamimidoyl-phenoxy)-N-[4-(2,5-dihydro-pyrr...)Show SMILES NC(=N)c1cccc(OCC(=O)Nc2ccc(cc2)C(=O)N2CC=CC2)c1 |c:24| Show InChI InChI=1S/C20H20N4O3/c21-19(22)15-4-3-5-17(12-15)27-13-18(25)23-16-8-6-14(7-9-16)20(26)24-10-1-2-11-24/h1-9,12H,10-11,13H2,(H3,21,22)(H,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against thrombin |
Bioorg Med Chem Lett 11: 2279-82 (2001)
BindingDB Entry DOI: 10.7270/Q2SQ8ZN4 |
More data for this
Ligand-Target Pair | |
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