Found 55 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)) | BDBM50062027
(3-(3-Carbamimidoyl-phenyl)-5-(4-guanidino-phenyl)-...)Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6](-[#6]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-c1cccc(c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C20H25N5O2/c1-27-18(26)12-15(14-3-2-4-16(11-14)19(21)22)8-5-13-6-9-17(10-7-13)25-20(23)24/h2-4,6-7,9-11,15H,5,8,12H2,1H3,(H3,21,22)(H4,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062035
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES COC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H24N4O2/c1-26-18(25)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062033
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES CCOC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C21H26N4O2/c1-2-27-19(26)13-17(16-4-3-5-18(12-16)21(24)25)11-8-14-6-9-15(10-7-14)20(22)23/h3-7,9-10,12,17H,2,8,11,13H2,1H3,(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
Similars
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062038
(3-(3-Carbamimidoyl-phenyl)-7-(4-guanidino-phenyl)-...)Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6](-[#6]-[#6]-[#6]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-c1cccc(c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C22H29N5O2/c1-29-20(28)14-17(16-7-4-8-18(13-16)21(23)24)6-3-2-5-15-9-11-19(12-10-15)27-22(25)26/h4,7-13,17H,2-3,5-6,14H2,1H3,(H3,23,24)(H4,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50062027
(3-(3-Carbamimidoyl-phenyl)-5-(4-guanidino-phenyl)-...)Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6](-[#6]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-c1cccc(c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C20H25N5O2/c1-27-18(26)12-15(14-3-2-4-16(11-14)19(21)22)8-5-13-6-9-17(10-7-13)25-20(23)24/h2-4,6-7,9-11,15H,5,8,12H2,1H3,(H3,21,22)(H4,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of trypsin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50062035
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES COC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H24N4O2/c1-26-18(25)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of trypsin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50062031
(3-(3-Carbamimidoyl-phenyl)-5-(4-methanesulfonylami...)Show SMILES COC(=O)CC(CCc1ccc(NS(C)(=O)=O)cc1)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H25N3O4S/c1-27-19(24)13-16(15-4-3-5-17(12-15)20(21)22)9-6-14-7-10-18(11-8-14)23-28(2,25)26/h3-5,7-8,10-12,16,23H,6,9,13H2,1-2H3,(H3,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of trypsin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50062033
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES CCOC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C21H26N4O2/c1-2-27-19(26)13-17(16-4-3-5-18(12-16)21(24)25)11-8-14-6-9-15(10-7-14)20(22)23/h3-7,9-10,12,17H,2,8,11,13H2,1H3,(H3,22,23)(H3,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of trypsin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50062024
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES CC(C)OC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C22H28N4O2/c1-14(2)28-20(27)13-18(17-4-3-5-19(12-17)22(25)26)11-8-15-6-9-16(10-7-15)21(23)24/h3-7,9-10,12,14,18H,8,11,13H2,1-2H3,(H3,23,24)(H3,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of trypsin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062024
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES CC(C)OC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C22H28N4O2/c1-14(2)28-20(27)13-18(17-4-3-5-19(12-17)22(25)26)11-8-15-6-9-16(10-7-15)21(23)24/h3-7,9-10,12,14,18H,8,11,13H2,1-2H3,(H3,23,24)(H3,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 192 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50062019
(4-[3-(3-Carbamimidoyl-phenyl)-4-methoxycarbonyl-bu...)Show SMILES COC(=O)CC(CCc1ccc(cc1)C(=O)OC)c1cccc(c1)C(N)=N Show InChI InChI=1S/C21H24N2O4/c1-26-19(24)13-17(16-4-3-5-18(12-16)20(22)23)11-8-14-6-9-15(10-7-14)21(25)27-2/h3-7,9-10,12,17H,8,11,13H2,1-2H3,(H3,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of trypsin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50062037
(3-[3-amino(imino)methylphenyl]-5-[4-amino(imino)me...)Show SMILES NC(=N)c1ccc(CCC(CC(=O)n2cccc2)c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C23H25N5O/c24-22(25)17-9-6-16(7-10-17)8-11-19(15-21(29)28-12-1-2-13-28)18-4-3-5-20(14-18)23(26)27/h1-7,9-10,12-14,19H,8,11,15H2,(H3,24,25)(H3,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of trypsin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062034
(3-(3-Carbamimidoyl-phenyl)-5-(4-carbamoyl-phenyl)-...)Show SMILES COC(=O)CC(CCc1ccc(cc1)C(N)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H23N3O3/c1-26-18(24)12-16(15-3-2-4-17(11-15)19(21)22)10-7-13-5-8-14(9-6-13)20(23)25/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H2,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50062023
(5-(4-Benzenesulfonylamino-phenyl)-3-(3-carbamimido...)Show SMILES COC(=O)CC(CCc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H27N3O4S/c1-32-24(29)17-20(19-6-5-7-21(16-19)25(26)27)13-10-18-11-14-22(15-12-18)28-33(30,31)23-8-3-2-4-9-23/h2-9,11-12,14-16,20,28H,10,13,17H2,1H3,(H3,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of trypsin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062031
(3-(3-Carbamimidoyl-phenyl)-5-(4-methanesulfonylami...)Show SMILES COC(=O)CC(CCc1ccc(NS(C)(=O)=O)cc1)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H25N3O4S/c1-27-19(24)13-16(15-4-3-5-17(12-15)20(21)22)9-6-14-7-10-18(11-8-14)23-28(2,25)26/h3-5,7-8,10-12,16,23H,6,9,13H2,1-2H3,(H3,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 654 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50062038
(3-(3-Carbamimidoyl-phenyl)-7-(4-guanidino-phenyl)-...)Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6](-[#6]-[#6]-[#6]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-c1cccc(c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C22H29N5O2/c1-29-20(28)14-17(16-7-4-8-18(13-16)21(23)24)6-3-2-5-15-9-11-19(12-10-15)27-22(25)26/h4,7-13,17H,2-3,5-6,14H2,1H3,(H3,23,24)(H4,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of trypsin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50062036
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES CNC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H25N5O/c1-25-18(26)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of trypsin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50062034
(3-(3-Carbamimidoyl-phenyl)-5-(4-carbamoyl-phenyl)-...)Show SMILES COC(=O)CC(CCc1ccc(cc1)C(N)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H23N3O3/c1-26-18(24)12-16(15-3-2-4-17(11-15)19(21)22)10-7-13-5-8-14(9-6-13)20(23)25/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H2,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of trypsin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062036
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES CNC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H25N5O/c1-25-18(26)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062023
(5-(4-Benzenesulfonylamino-phenyl)-3-(3-carbamimido...)Show SMILES COC(=O)CC(CCc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H27N3O4S/c1-32-24(29)17-20(19-6-5-7-21(16-19)25(26)27)13-10-18-11-14-22(15-12-18)28-33(30,31)23-8-3-2-4-9-23/h2-9,11-12,14-16,20,28H,10,13,17H2,1H3,(H3,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062033
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES CCOC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C21H26N4O2/c1-2-27-19(26)13-17(16-4-3-5-18(12-16)21(24)25)11-8-14-6-9-15(10-7-14)20(22)23/h3-7,9-10,12,17H,2,8,11,13H2,1H3,(H3,22,23)(H3,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062037
(3-[3-amino(imino)methylphenyl]-5-[4-amino(imino)me...)Show SMILES NC(=N)c1ccc(CCC(CC(=O)n2cccc2)c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C23H25N5O/c24-22(25)17-9-6-16(7-10-17)8-11-19(15-21(29)28-12-1-2-13-28)18-4-3-5-20(14-18)23(26)27/h1-7,9-10,12-14,19H,8,11,15H2,(H3,24,25)(H3,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50062022
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES NC(=N)c1ccc(CCC(CC(O)=O)c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C19H22N4O2/c20-18(21)13-7-4-12(5-8-13)6-9-15(11-17(24)25)14-2-1-3-16(10-14)19(22)23/h1-5,7-8,10,15H,6,9,11H2,(H3,20,21)(H3,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of trypsin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062020
(3,5-Bis-(4-carbamimidoyl-phenyl)-pentanoic acid et...)Show SMILES CCOC(=O)CC(CCc1ccc(cc1)C(N)=N)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H26N4O2/c1-2-27-19(26)13-18(15-9-11-17(12-10-15)21(24)25)8-5-14-3-6-16(7-4-14)20(22)23/h3-4,6-7,9-12,18H,2,5,8,13H2,1H3,(H3,22,23)(H3,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50062026
(5-(4-Amino-phenyl)-3-(3-carbamimidoyl-phenyl)-pent...)Show InChI InChI=1S/C19H23N3O2/c1-24-18(23)12-15(8-5-13-6-9-17(20)10-7-13)14-3-2-4-16(11-14)19(21)22/h2-4,6-7,9-11,15H,5,8,12,20H2,1H3,(H3,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of trypsin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062035
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES COC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H24N4O2/c1-26-18(25)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062022
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES NC(=N)c1ccc(CCC(CC(O)=O)c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C19H22N4O2/c20-18(21)13-7-4-12(5-8-13)6-9-15(11-17(24)25)14-2-1-3-16(10-14)19(22)23/h1-5,7-8,10,15H,6,9,11H2,(H3,20,21)(H3,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062024
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES CC(C)OC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C22H28N4O2/c1-14(2)28-20(27)13-18(17-4-3-5-19(12-17)22(25)26)11-8-15-6-9-16(10-7-15)21(23)24/h3-7,9-10,12,14,18H,8,11,13H2,1-2H3,(H3,23,24)(H3,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062028
(5-(3-Carbamimidoyl-phenyl)-3-(4-carbamimidoyl-phen...)Show SMILES CCOC(=O)CC(CCc1cccc(c1)C(N)=N)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H26N4O2/c1-2-27-19(26)13-17(15-8-10-16(11-9-15)20(22)23)7-6-14-4-3-5-18(12-14)21(24)25/h3-5,8-12,17H,2,6-7,13H2,1H3,(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
Similars
| Article
PubMed
| 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062023
(5-(4-Benzenesulfonylamino-phenyl)-3-(3-carbamimido...)Show SMILES COC(=O)CC(CCc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H27N3O4S/c1-32-24(29)17-20(19-6-5-7-21(16-19)25(26)27)13-10-18-11-14-22(15-12-18)28-33(30,31)23-8-3-2-4-9-23/h2-9,11-12,14-16,20,28H,10,13,17H2,1H3,(H3,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062021
(3-(3-Carbamimidoyl-phenyl)-5-phenyl-pentanoic acid...)Show InChI InChI=1S/C20H24N2O2/c1-2-24-19(23)14-17(12-11-15-7-4-3-5-8-15)16-9-6-10-18(13-16)20(21)22/h3-10,13,17H,2,11-12,14H2,1H3,(H3,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062029
(CHEMBL155632 | [5-(4-Carbamimidoyl-phenyl)-3-(3-ca...)Show SMILES COC(=O)CNC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C22H27N5O3/c1-30-20(29)13-27-19(28)12-17(16-3-2-4-18(11-16)22(25)26)10-7-14-5-8-15(9-6-14)21(23)24/h2-6,8-9,11,17H,7,10,12-13H2,1H3,(H3,23,24)(H3,25,26)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062025
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES CONC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H25N5O2/c1-27-25-18(26)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062019
(4-[3-(3-Carbamimidoyl-phenyl)-4-methoxycarbonyl-bu...)Show SMILES COC(=O)CC(CCc1ccc(cc1)C(=O)OC)c1cccc(c1)C(N)=N Show InChI InChI=1S/C21H24N2O4/c1-26-19(24)13-17(16-4-3-5-18(12-16)20(22)23)11-8-14-6-9-15(10-7-14)21(25)27-2/h3-7,9-10,12,17H,8,11,13H2,1-2H3,(H3,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062039
(3,5-Bis-(3-carbamimidoyl-phenyl)-pentanoic acid me...)Show SMILES COC(=O)CC(CCc1cccc(c1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H24N4O2/c1-26-18(25)12-15(14-5-3-7-17(11-14)20(23)24)9-8-13-4-2-6-16(10-13)19(21)22/h2-7,10-11,15H,8-9,12H2,1H3,(H3,21,22)(H3,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062037
(3-[3-amino(imino)methylphenyl]-5-[4-amino(imino)me...)Show SMILES NC(=N)c1ccc(CCC(CC(=O)n2cccc2)c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C23H25N5O/c24-22(25)17-9-6-16(7-10-17)8-11-19(15-21(29)28-12-1-2-13-28)18-4-3-5-20(14-18)23(26)27/h1-7,9-10,12-14,19H,8,11,15H2,(H3,24,25)(H3,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062021
(3-(3-Carbamimidoyl-phenyl)-5-phenyl-pentanoic acid...)Show InChI InChI=1S/C20H24N2O2/c1-2-24-19(23)14-17(12-11-15-7-4-3-5-8-15)16-9-6-10-18(13-16)20(21)22/h3-10,13,17H,2,11-12,14H2,1H3,(H3,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062027
(3-(3-Carbamimidoyl-phenyl)-5-(4-guanidino-phenyl)-...)Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6](-[#6]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-c1cccc(c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C20H25N5O2/c1-27-18(26)12-15(14-3-2-4-16(11-14)19(21)22)8-5-13-6-9-17(10-7-13)25-20(23)24/h2-4,6-7,9-11,15H,5,8,12H2,1H3,(H3,21,22)(H4,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062031
(3-(3-Carbamimidoyl-phenyl)-5-(4-methanesulfonylami...)Show SMILES COC(=O)CC(CCc1ccc(NS(C)(=O)=O)cc1)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H25N3O4S/c1-27-19(24)13-16(15-4-3-5-17(12-15)20(21)22)9-6-14-7-10-18(11-8-14)23-28(2,25)26/h3-5,7-8,10-12,16,23H,6,9,13H2,1-2H3,(H3,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062038
(3-(3-Carbamimidoyl-phenyl)-7-(4-guanidino-phenyl)-...)Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6](-[#6]-[#6]-[#6]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-c1cccc(c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C22H29N5O2/c1-29-20(28)14-17(16-7-4-8-18(13-16)21(23)24)6-3-2-5-15-9-11-19(12-10-15)27-22(25)26/h4,7-13,17H,2-3,5-6,14H2,1H3,(H3,23,24)(H4,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062028
(5-(3-Carbamimidoyl-phenyl)-3-(4-carbamimidoyl-phen...)Show SMILES CCOC(=O)CC(CCc1cccc(c1)C(N)=N)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H26N4O2/c1-2-27-19(26)13-17(15-8-10-16(11-9-15)20(22)23)7-6-14-4-3-5-18(12-14)21(24)25/h3-5,8-12,17H,2,6-7,13H2,1H3,(H3,22,23)(H3,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062019
(4-[3-(3-Carbamimidoyl-phenyl)-4-methoxycarbonyl-bu...)Show SMILES COC(=O)CC(CCc1ccc(cc1)C(=O)OC)c1cccc(c1)C(N)=N Show InChI InChI=1S/C21H24N2O4/c1-26-19(24)13-17(16-4-3-5-18(12-16)20(22)23)11-8-14-6-9-15(10-7-14)21(25)27-2/h3-7,9-10,12,17H,8,11,13H2,1-2H3,(H3,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062022
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES NC(=N)c1ccc(CCC(CC(O)=O)c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C19H22N4O2/c20-18(21)13-7-4-12(5-8-13)6-9-15(11-17(24)25)14-2-1-3-16(10-14)19(22)23/h1-5,7-8,10,15H,6,9,11H2,(H3,20,21)(H3,22,23)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062030
(1-[3-amino(imino)methylphenyl]-3-[4-amino(imino)me...)Show InChI InChI=1S/C17H18N4O/c18-16(19)12-7-4-11(5-8-12)6-9-15(22)13-2-1-3-14(10-13)17(20)21/h1-5,7-8,10H,6,9H2,(H3,18,19)(H3,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062026
(5-(4-Amino-phenyl)-3-(3-carbamimidoyl-phenyl)-pent...)Show InChI InChI=1S/C19H23N3O2/c1-24-18(23)12-15(8-5-13-6-9-17(20)10-7-13)14-3-2-4-16(11-14)19(21)22/h2-4,6-7,9-11,15H,5,8,12,20H2,1H3,(H3,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062030
(1-[3-amino(imino)methylphenyl]-3-[4-amino(imino)me...)Show InChI InChI=1S/C17H18N4O/c18-16(19)12-7-4-11(5-8-12)6-9-15(22)13-2-1-3-14(10-13)17(20)21/h1-5,7-8,10H,6,9H2,(H3,18,19)(H3,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062032
(5-(4-Carbamimidoyl-phenyl)-3-phenyl-pentanoic acid...)Show InChI InChI=1S/C20H24N2O2/c1-2-24-19(23)14-18(16-6-4-3-5-7-16)13-10-15-8-11-17(12-9-15)20(21)22/h3-9,11-12,18H,2,10,13-14H2,1H3,(H3,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062034
(3-(3-Carbamimidoyl-phenyl)-5-(4-carbamoyl-phenyl)-...)Show SMILES COC(=O)CC(CCc1ccc(cc1)C(N)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H23N3O3/c1-26-18(24)12-16(15-3-2-4-17(11-15)19(21)22)10-7-13-5-8-14(9-6-13)20(23)25/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H2,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062026
(5-(4-Amino-phenyl)-3-(3-carbamimidoyl-phenyl)-pent...)Show InChI InChI=1S/C19H23N3O2/c1-24-18(23)12-15(8-5-13-6-9-17(20)10-7-13)14-3-2-4-16(11-14)19(21)22/h2-4,6-7,9-11,15H,5,8,12,20H2,1H3,(H3,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062036
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES CNC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H25N5O/c1-25-18(26)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24)(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062039
(3,5-Bis-(3-carbamimidoyl-phenyl)-pentanoic acid me...)Show SMILES COC(=O)CC(CCc1cccc(c1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H24N4O2/c1-26-18(25)12-15(14-5-3-7-17(11-14)20(23)24)9-8-13-4-2-6-16(10-13)19(21)22/h2-7,10-11,15H,8-9,12H2,1H3,(H3,21,22)(H3,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062029
(CHEMBL155632 | [5-(4-Carbamimidoyl-phenyl)-3-(3-ca...)Show SMILES COC(=O)CNC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C22H27N5O3/c1-30-20(29)13-27-19(28)12-17(16-3-2-4-18(11-16)22(25)26)10-7-14-5-8-15(9-6-14)21(23)24/h2-6,8-9,11,17H,7,10,12-13H2,1H3,(H3,23,24)(H3,25,26)(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50062025
(5-(4-Carbamimidoyl-phenyl)-3-(3-carbamimidoyl-phen...)Show SMILES CONC(=O)CC(CCc1ccc(cc1)C(N)=N)c1cccc(c1)C(N)=N Show InChI InChI=1S/C20H25N5O2/c1-27-25-18(26)12-16(15-3-2-4-17(11-15)20(23)24)10-7-13-5-8-14(9-6-13)19(21)22/h2-6,8-9,11,16H,7,10,12H2,1H3,(H3,21,22)(H3,23,24)(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of thrombin |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062020
(3,5-Bis-(4-carbamimidoyl-phenyl)-pentanoic acid et...)Show SMILES CCOC(=O)CC(CCc1ccc(cc1)C(N)=N)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H26N4O2/c1-2-27-19(26)13-18(15-9-11-17(12-10-15)21(24)25)8-5-14-3-6-16(7-4-14)20(22)23/h3-4,6-7,9-12,18H,2,5,8,13H2,1H3,(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
Similars
| Article
PubMed
| 2.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50062032
(5-(4-Carbamimidoyl-phenyl)-3-phenyl-pentanoic acid...)Show InChI InChI=1S/C20H24N2O2/c1-2-24-19(23)14-18(16-6-4-3-5-7-16)13-10-15-8-11-17(12-9-15)20(21)22/h3-9,11-12,18H,2,10,13-14H2,1H3,(H3,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor X |
J Med Chem 41: 53-62 (1998)
Article DOI: 10.1021/jm970485a
BindingDB Entry DOI: 10.7270/Q2R49PW5 |
More data for this
Ligand-Target Pair | |
Search and Browse
