Found 30 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)) | BDBM50127501
(3-(4-Carbamimidoyl-2-{2-[4-(pyrrolidine-1-carbonyl...)Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OCCNC(=O)c2ccc(cc2)C(=O)N2CCCC2)c1 Show InChI InChI=1S/C24H26N4O6/c25-21(26)18-8-7-17(13-19(29)24(32)33)20(14-18)34-12-9-27-22(30)15-3-5-16(6-4-15)23(31)28-10-1-2-11-28/h3-8,14H,1-2,9-13H2,(H3,25,26)(H,27,30)(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Coagulation factor X (fXa) |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50127492
(4-[5-Carbamimidoyl-2-(2-carboxy-2-oxo-ethyl)-pheno...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)N[C@@H](COc1cc(ccc1CC(=O)C(O)=O)C(N)=N)CC(O)=O Show InChI InChI=1S/C28H33N5O8/c1-16(29)33-10-8-22(9-11-33)41-21-6-4-17(5-7-21)27(37)32-20(14-25(35)36)15-40-24-13-19(26(30)31)3-2-18(24)12-23(34)28(38)39/h2-7,13,20,22,29H,8-12,14-15H2,1H3,(H3,30,31)(H,32,37)(H,35,36)(H,38,39)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Coagulation factor X (fXa) |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50127502
(4-[5-Carbamimidoyl-2-(2-carboxy-2-oxo-ethyl)-pheno...)Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OC[C@@H](CC(O)=O)NC(=O)C2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C25H29N5O7/c26-23(27)17-2-1-16(11-20(31)25(35)36)21(12-17)37-14-18(13-22(32)33)29-24(34)15-5-9-30(10-6-15)19-3-7-28-8-4-19/h1-4,7-8,12,15,18H,5-6,9-11,13-14H2,(H3,26,27)(H,29,34)(H,32,33)(H,35,36)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Coagulation factor X (fXa) |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50127504
(CHEMBL55770 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...)Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)C(=O)N2CCCC2)c1 Show InChI InChI=1S/C21H24N4O3/c22-19(23)17-4-3-5-18(14-17)28-13-10-24-20(26)15-6-8-16(9-7-15)21(27)25-11-1-2-12-25/h3-9,14H,1-2,10-13H2,(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
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Coagulation factor X (fXa) |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50127495
(3-[4-Carbamimidoyl-2-(2-{4-[1-(1-imino-ethyl)-pipe...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cc(ccc1CC(=O)C(O)=O)C(N)=N Show InChI InChI=1S/C26H31N5O6/c1-16(27)31-11-8-21(9-12-31)37-20-6-4-17(5-7-20)25(33)30-10-13-36-23-15-19(24(28)29)3-2-18(23)14-22(32)26(34)35/h2-7,15,21,27H,8-14H2,1H3,(H3,28,29)(H,30,33)(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Coagulation factor X (fXa) |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50127494
(3-(4-Carbamimidoyl-2-{2-[(3,4,5,6-tetrahydro-2H-[1...)Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C23H27N5O5/c24-21(25)17-2-1-16(13-19(29)23(31)32)20(14-17)33-12-9-27-22(30)15-5-10-28(11-6-15)18-3-7-26-8-4-18/h1-4,7-8,14-15H,5-6,9-13H2,(H3,24,25)(H,27,30)(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Coagulation factor X (fXa) |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50127498
(3-{4-Carbamimidoyl-2-[2-(4-carbamimidoyl-benzoylam...)Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCOc1cc(ccc1CC(=O)C(O)=O)C(N)=N Show InChI InChI=1S/C20H21N5O5/c21-17(22)11-1-3-12(4-2-11)19(27)25-7-8-30-16-10-14(18(23)24)6-5-13(16)9-15(26)20(28)29/h1-6,10H,7-9H2,(H3,21,22)(H3,23,24)(H,25,27)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Coagulation factor X (fXa) |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50127503
(3-(4-Carbamimidoyl-benzoylamino)-4-(3-carbamimidoy...)Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@@H](COc1cccc(c1)C(N)=N)CC(O)=O Show InChI InChI=1S/C19H21N5O4/c20-17(21)11-4-6-12(7-5-11)19(27)24-14(9-16(25)26)10-28-15-3-1-2-13(8-15)18(22)23/h1-8,14H,9-10H2,(H3,20,21)(H3,22,23)(H,24,27)(H,25,26)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Coagulation factor X (fXa) |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50127493
(3-(4-Carbamimidoyl-2-{2-[(3,4,5,6-tetrahydro-2H-[1...)Show SMILES NC(=N)c1ccc(CCC(O)=O)c(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C23H29N5O4/c24-22(25)18-2-1-16(3-4-21(29)30)20(15-18)32-14-11-27-23(31)17-7-12-28(13-8-17)19-5-9-26-10-6-19/h1-2,5-6,9-10,15,17H,3-4,7-8,11-14H2,(H3,24,25)(H,27,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Coagulation factor X (fXa) |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50127506
(3-(4-Carbamimidoyl-benzoylamino)-4-(3-carbamimidoy...)Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@H](COc1cccc(c1)C(N)=N)CC(O)=O Show InChI InChI=1S/C19H21N5O4/c20-17(21)11-4-6-12(7-5-11)19(27)24-14(9-16(25)26)10-28-15-3-1-2-13(8-15)18(22)23/h1-8,14H,9-10H2,(H3,20,21)(H3,22,23)(H,24,27)(H,25,26)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Coagulation factor X (fXa) |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50127496
(CHEMBL51796 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cccc(c1)C(N)=N Show InChI InChI=1S/C23H29N5O3/c1-16(24)28-12-9-20(10-13-28)31-19-7-5-17(6-8-19)23(29)27-11-14-30-21-4-2-3-18(15-21)22(25)26/h2-8,15,20,24H,9-14H2,1H3,(H3,25,26)(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Coagulation factor X (fXa) |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50127497
(4-Carbamimidoyl-N-[2-(3-carbamimidoyl-phenoxy)-eth...)Show InChI InChI=1S/C17H19N5O2/c18-15(19)11-4-6-12(7-5-11)17(23)22-8-9-24-14-3-1-2-13(10-14)16(20)21/h1-7,10H,8-9H2,(H3,18,19)(H3,20,21)(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Coagulation factor X (fXa) |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50127500
(3,4,5,6-Tetrahydro-2H-[1,4']bipyridinyl-4-carboxyl...)Show SMILES NC(=N)c1cccc(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C20H25N5O2/c21-19(22)16-2-1-3-18(14-16)27-13-10-24-20(26)15-6-11-25(12-7-15)17-4-8-23-9-5-17/h1-5,8-9,14-15H,6-7,10-13H2,(H3,21,22)(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Coagulation factor X (fXa) |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50127499
(3-[4-Carbamimidoyl-2-(2-{4-[1-(1-imino-ethyl)-pipe...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cc(ccc1CCC(O)=O)C(N)=N Show InChI InChI=1S/C26H33N5O5/c1-17(27)31-13-10-22(11-14-31)36-21-7-4-19(5-8-21)26(34)30-12-15-35-23-16-20(25(28)29)3-2-18(23)6-9-24(32)33/h2-5,7-8,16,22,27H,6,9-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Coagulation factor X (fXa) |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50127505
(CHEMBL55364 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...)Show InChI InChI=1S/C16H17N3O2/c17-15(18)13-7-4-8-14(11-13)21-10-9-19-16(20)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H3,17,18)(H,19,20) | 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 |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Coagulation factor X (fXa) |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50127501
(3-(4-Carbamimidoyl-2-{2-[4-(pyrrolidine-1-carbonyl...)Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OCCNC(=O)c2ccc(cc2)C(=O)N2CCCC2)c1 Show InChI InChI=1S/C24H26N4O6/c25-21(26)18-8-7-17(13-19(29)24(32)33)20(14-18)34-12-9-27-22(30)15-3-5-16(6-4-15)23(31)28-10-1-2-11-28/h3-8,14H,1-2,9-13H2,(H3,25,26)(H,27,30)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50127498
(3-{4-Carbamimidoyl-2-[2-(4-carbamimidoyl-benzoylam...)Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCOc1cc(ccc1CC(=O)C(O)=O)C(N)=N Show InChI InChI=1S/C20H21N5O5/c21-17(22)11-1-3-12(4-2-11)19(27)25-7-8-30-16-10-14(18(23)24)6-5-13(16)9-15(26)20(28)29/h1-6,10H,7-9H2,(H3,21,22)(H3,23,24)(H,25,27)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50127495
(3-[4-Carbamimidoyl-2-(2-{4-[1-(1-imino-ethyl)-pipe...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cc(ccc1CC(=O)C(O)=O)C(N)=N Show InChI InChI=1S/C26H31N5O6/c1-16(27)31-11-8-21(9-12-31)37-20-6-4-17(5-7-20)25(33)30-10-13-36-23-15-19(24(28)29)3-2-18(23)14-22(32)26(34)35/h2-7,15,21,27H,8-14H2,1H3,(H3,28,29)(H,30,33)(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50127504
(CHEMBL55770 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...)Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)C(=O)N2CCCC2)c1 Show InChI InChI=1S/C21H24N4O3/c22-19(23)17-4-3-5-18(14-17)28-13-10-24-20(26)15-6-8-16(9-7-15)21(27)25-11-1-2-12-25/h3-9,14H,1-2,10-13H2,(H3,22,23)(H,24,26) | PDB
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| Article
PubMed
| 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50127494
(3-(4-Carbamimidoyl-2-{2-[(3,4,5,6-tetrahydro-2H-[1...)Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C23H27N5O5/c24-21(25)17-2-1-16(13-19(29)23(31)32)20(14-17)33-12-9-27-22(30)15-5-10-28(11-6-15)18-3-7-26-8-4-18/h1-4,7-8,14-15H,5-6,9-13H2,(H3,24,25)(H,27,30)(H,31,32) | PDB
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PubMed
| 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50127496
(CHEMBL51796 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cccc(c1)C(N)=N Show InChI InChI=1S/C23H29N5O3/c1-16(24)28-12-9-20(10-13-28)31-19-7-5-17(6-8-19)23(29)27-11-14-30-21-4-2-3-18(15-21)22(25)26/h2-8,15,20,24H,9-14H2,1H3,(H3,25,26)(H,27,29) | PDB
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| 4.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50127492
(4-[5-Carbamimidoyl-2-(2-carboxy-2-oxo-ethyl)-pheno...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)N[C@@H](COc1cc(ccc1CC(=O)C(O)=O)C(N)=N)CC(O)=O Show InChI InChI=1S/C28H33N5O8/c1-16(29)33-10-8-22(9-11-33)41-21-6-4-17(5-7-21)27(37)32-20(14-25(35)36)15-40-24-13-19(26(30)31)3-2-18(24)12-23(34)28(38)39/h2-7,13,20,22,29H,8-12,14-15H2,1H3,(H3,30,31)(H,32,37)(H,35,36)(H,38,39)/t20-/m1/s1 | PDB
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| 5.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50127502
(4-[5-Carbamimidoyl-2-(2-carboxy-2-oxo-ethyl)-pheno...)Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OC[C@@H](CC(O)=O)NC(=O)C2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C25H29N5O7/c26-23(27)17-2-1-16(11-20(31)25(35)36)21(12-17)37-14-18(13-22(32)33)29-24(34)15-5-9-30(10-6-15)19-3-7-28-8-4-19/h1-4,7-8,12,15,18H,5-6,9-11,13-14H2,(H3,26,27)(H,29,34)(H,32,33)(H,35,36)/t18-/m1/s1 | PDB
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PubMed
| 6.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50127497
(4-Carbamimidoyl-N-[2-(3-carbamimidoyl-phenoxy)-eth...)Show InChI InChI=1S/C17H19N5O2/c18-15(19)11-4-6-12(7-5-11)17(23)22-8-9-24-14-3-1-2-13(10-14)16(20)21/h1-7,10H,8-9H2,(H3,18,19)(H3,20,21)(H,22,23) | PDB
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PubMed
| 7.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50127505
(CHEMBL55364 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...)Show InChI InChI=1S/C16H17N3O2/c17-15(18)13-7-4-8-14(11-13)21-10-9-19-16(20)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H3,17,18)(H,19,20) | PDB
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PubMed
| 8.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50127500
(3,4,5,6-Tetrahydro-2H-[1,4']bipyridinyl-4-carboxyl...)Show SMILES NC(=N)c1cccc(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C20H25N5O2/c21-19(22)16-2-1-3-18(14-16)27-13-10-24-20(26)15-6-11-25(12-7-15)17-4-8-23-9-5-17/h1-5,8-9,14-15H,6-7,10-13H2,(H3,21,22)(H,24,26) | PDB
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| 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50127493
(3-(4-Carbamimidoyl-2-{2-[(3,4,5,6-tetrahydro-2H-[1...)Show SMILES NC(=N)c1ccc(CCC(O)=O)c(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1 Show InChI InChI=1S/C23H29N5O4/c24-22(25)18-2-1-16(3-4-21(29)30)20(15-18)32-14-11-27-23(31)17-7-12-28(13-8-17)19-5-9-26-10-6-19/h1-2,5-6,9-10,15,17H,3-4,7-8,11-14H2,(H3,24,25)(H,27,31)(H,29,30) | PDB
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| >1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50127506
(3-(4-Carbamimidoyl-benzoylamino)-4-(3-carbamimidoy...)Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@H](COc1cccc(c1)C(N)=N)CC(O)=O Show InChI InChI=1S/C19H21N5O4/c20-17(21)11-4-6-12(7-5-11)19(27)24-14(9-16(25)26)10-28-15-3-1-2-13(8-15)18(22)23/h1-8,14H,9-10H2,(H3,20,21)(H3,22,23)(H,24,27)(H,25,26)/t14-/m0/s1 | PDB
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PubMed
| >1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50127499
(3-[4-Carbamimidoyl-2-(2-{4-[1-(1-imino-ethyl)-pipe...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cc(ccc1CCC(O)=O)C(N)=N Show InChI InChI=1S/C26H33N5O5/c1-17(27)31-13-10-22(11-14-31)36-21-7-4-19(5-8-21)26(34)30-12-15-35-23-16-20(25(28)29)3-2-18(23)6-9-24(32)33/h2-5,7-8,16,22,27H,6,9-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33) | PDB
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| >1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50127503
(3-(4-Carbamimidoyl-benzoylamino)-4-(3-carbamimidoy...)Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@@H](COc1cccc(c1)C(N)=N)CC(O)=O Show InChI InChI=1S/C19H21N5O4/c20-17(21)11-4-6-12(7-5-11)19(27)24-14(9-16(25)26)10-28-15-3-1-2-13(8-15)18(22)23/h1-8,14H,9-10H2,(H3,20,21)(H3,22,23)(H,24,27)(H,25,26)/t14-/m1/s1 | PDB
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| >1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 46: 1845-57 (2003)
Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C |
More data for this
Ligand-Target Pair | |
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