Found 111 hits Enz. Inhib. hit(s) with all data for entry = 50006233 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 |
|---|
Serine protease 1
(Homo sapiens (Human)) | BDBM50046358
(CHEMBL110780 | {2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(20-13-12-18-8-4-5-9-19(18)16-20)25(37)34-15-7-11-22(34)24(36)32-21(17-35)10-6-14-31-26(29)30/h4-5,8-9,12-13,16-17,21-23H,6-7,10-11,14-15H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t21?,22-,23+/m0/s1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against trypsin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50046355
(CHEMBL110898 | {2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12 Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19?,22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against trypsin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50046373
(CHEMBL108670 | {1-(3,4-Dichloro-phenyl)-2-[2-(1-fo...)Show SMILES CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H34Cl2N6O5/c1-24(2,3)37-23(36)31-19(14-8-9-16(25)17(26)12-14)21(35)32-11-5-7-18(32)20(34)30-15(13-33)6-4-10-29-22(27)28/h8-9,12-13,15,18-19H,4-7,10-11H2,1-3H3,(H,30,34)(H,31,36)(H4,27,28,29)/t15?,18-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against trypsin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50046358
(CHEMBL110780 | {2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(20-13-12-18-8-4-5-9-19(18)16-20)25(37)34-15-7-11-22(34)24(36)32-21(17-35)10-6-14-31-26(29)30/h4-5,8-9,12-13,16-17,21-23H,6-7,10-11,14-15H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t21?,22-,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50060000
((S)-1-((R)-2-Methylamino-2-phenyl-acetyl)-pyrrolid...)Show SMILES CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1 Show InChI InChI=1S/C20H30N6O3/c1-23-17(14-7-3-2-4-8-14)19(29)26-12-6-10-16(26)18(28)25-15(13-27)9-5-11-24-20(21)22/h2-4,7-8,13,15-17,23H,5-6,9-12H2,1H3,(H,25,28)(H4,21,22,24)/t15-,16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50060000
((S)-1-((R)-2-Methylamino-2-phenyl-acetyl)-pyrrolid...)Show SMILES CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1 Show InChI InChI=1S/C20H30N6O3/c1-23-17(14-7-3-2-4-8-14)19(29)26-12-6-10-16(26)18(28)25-15(13-27)9-5-11-24-20(21)22/h2-4,7-8,13,15-17,23H,5-6,9-12H2,1H3,(H,25,28)(H4,21,22,24)/t15-,16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against trypsin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50046356
(1-(2-Amino-2-phenyl-acetyl)-pyrrolidine-2-carboxyl...)Show SMILES [#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1 Show InChI InChI=1S/C19H28N6O3/c20-16(13-6-2-1-3-7-13)18(28)25-11-5-9-15(25)17(27)24-14(12-26)8-4-10-23-19(21)22/h1-3,6-7,12,14-16H,4-5,8-11,20H2,(H,24,27)(H4,21,22,23)/t14-,15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50046352
(1-(1,2,3,4-Tetrahydro-isoquinoline-3-carbonyl)-pyr...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2CN1)C=O Show InChI InChI=1S/C21H30N6O3/c22-21(23)24-9-3-7-16(13-28)26-19(29)18-8-4-10-27(18)20(30)17-11-14-5-1-2-6-15(14)12-25-17/h1-2,5-6,13,16-18,25H,3-4,7-12H2,(H,26,29)(H4,22,23,24)/t16-,17+,18-/m0/s1 | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50046356
(1-(2-Amino-2-phenyl-acetyl)-pyrrolidine-2-carboxyl...)Show SMILES [#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1 Show InChI InChI=1S/C19H28N6O3/c20-16(13-6-2-1-3-7-13)18(28)25-11-5-9-15(25)17(27)24-14(12-26)8-4-10-23-19(21)22/h1-3,6-7,12,14-16H,4-5,8-11,20H2,(H,24,27)(H4,21,22,23)/t14-,15-,16+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against trypsin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50046368
(CHEMBL320988 | [2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H35F3N6O5/c1-24(2,3)39-23(38)33-19(15-7-4-8-16(13-15)25(26,27)28)21(37)34-12-6-10-18(34)20(36)32-17(14-35)9-5-11-31-22(29)30/h4,7-8,13-14,17-19H,5-6,9-12H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t17?,18-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against trypsin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50046356
(1-(2-Amino-2-phenyl-acetyl)-pyrrolidine-2-carboxyl...)Show SMILES [#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1 Show InChI InChI=1S/C19H28N6O3/c20-16(13-6-2-1-3-7-13)18(28)25-11-5-9-15(25)17(27)24-14(12-26)8-4-10-23-19(21)22/h1-3,6-7,12,14-16H,4-5,8-11,20H2,(H,24,27)(H4,21,22,23)/t14-,15-,16+/m0/s1 | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50046352
(1-(1,2,3,4-Tetrahydro-isoquinoline-3-carbonyl)-pyr...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2CN1)C=O Show InChI InChI=1S/C21H30N6O3/c22-21(23)24-9-3-7-16(13-28)26-19(29)18-8-4-10-27(18)20(30)17-11-14-5-1-2-6-15(14)12-25-17/h1-2,5-6,13,16-18,25H,3-4,7-12H2,(H,26,29)(H4,22,23,24)/t16-,17+,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against trypsin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50046352
(1-(1,2,3,4-Tetrahydro-isoquinoline-3-carbonyl)-pyr...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2CN1)C=O Show InChI InChI=1S/C21H30N6O3/c22-21(23)24-9-3-7-16(13-28)26-19(29)18-8-4-10-27(18)20(30)17-11-14-5-1-2-6-15(14)12-25-17/h1-2,5-6,13,16-18,25H,3-4,7-12H2,(H,26,29)(H4,22,23,24)/t16-,17+,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for inhibitory activity against t-PA (tissue plasminogen activator) |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50046356
(1-(2-Amino-2-phenyl-acetyl)-pyrrolidine-2-carboxyl...)Show SMILES [#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1 Show InChI InChI=1S/C19H28N6O3/c20-16(13-6-2-1-3-7-13)18(28)25-11-5-9-15(25)17(27)24-14(12-26)8-4-10-23-19(21)22/h1-3,6-7,12,14-16H,4-5,8-11,20H2,(H,24,27)(H4,21,22,23)/t14-,15-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for inhibitory activity against t-PA (tissue plasminogen activator) |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50046352
(1-(1,2,3,4-Tetrahydro-isoquinoline-3-carbonyl)-pyr...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2CN1)C=O Show InChI InChI=1S/C21H30N6O3/c22-21(23)24-9-3-7-16(13-28)26-19(29)18-8-4-10-27(18)20(30)17-11-14-5-1-2-6-15(14)12-25-17/h1-2,5-6,13,16-18,25H,3-4,7-12H2,(H,26,29)(H4,22,23,24)/t16-,17+,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50046355
(CHEMBL110898 | {2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12 Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19?,22-,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50046368
(CHEMBL320988 | [2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H35F3N6O5/c1-24(2,3)39-23(38)33-19(15-7-4-8-16(13-15)25(26,27)28)21(37)34-12-6-10-18(34)20(36)32-17(14-35)9-5-11-31-22(29)30/h4,7-8,13-14,17-19H,5-6,9-12H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t17?,18-,19?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50046373
(CHEMBL108670 | {1-(3,4-Dichloro-phenyl)-2-[2-(1-fo...)Show SMILES CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H34Cl2N6O5/c1-24(2,3)37-23(36)31-19(14-8-9-16(25)17(26)12-14)21(35)32-11-5-7-18(32)20(34)30-15(13-33)6-4-10-29-22(27)28/h8-9,12-13,15,18-19H,4-7,10-11H2,1-3H3,(H,30,34)(H,31,36)(H4,27,28,29)/t15?,18-,19?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50046359
(CHEMBL109109 | {2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12 Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19?,22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against trypsin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50046360
(CHEMBL104472 | {1-Benzyl-2-[2-(1-formyl-4-guanidin...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against trypsin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50046360
(CHEMBL104472 | {1-Benzyl-2-[2-(1-formyl-4-guanidin...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for inhibitory activity against t-PA (tissue plasminogen activator) |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50046360
(CHEMBL104472 | {1-Benzyl-2-[2-(1-formyl-4-guanidin...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20-/m0/s1 | 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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50046360
(CHEMBL104472 | {1-Benzyl-2-[2-(1-formyl-4-guanidin...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50046358
(CHEMBL110780 | {2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(20-13-12-18-8-4-5-9-19(18)16-20)25(37)34-15-7-11-22(34)24(36)32-21(17-35)10-6-14-31-26(29)30/h4-5,8-9,12-13,16-17,21-23H,6-7,10-11,14-15H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t21?,22-,23+/m0/s1 | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50046358
(CHEMBL110780 | {2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(20-13-12-18-8-4-5-9-19(18)16-20)25(37)34-15-7-11-22(34)24(36)32-21(17-35)10-6-14-31-26(29)30/h4-5,8-9,12-13,16-17,21-23H,6-7,10-11,14-15H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t21?,22-,23+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against plasmin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50046359
(CHEMBL109109 | {2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12 Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19?,22-,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50046373
(CHEMBL108670 | {1-(3,4-Dichloro-phenyl)-2-[2-(1-fo...)Show SMILES CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H34Cl2N6O5/c1-24(2,3)37-23(36)31-19(14-8-9-16(25)17(26)12-14)21(35)32-11-5-7-18(32)20(34)30-15(13-33)6-4-10-29-22(27)28/h8-9,12-13,15,18-19H,4-7,10-11H2,1-3H3,(H,30,34)(H,31,36)(H4,27,28,29)/t15?,18-,19?/m0/s1 | 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 | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50046362
(CHEMBL319930 | {1-Cyclohexyl-2-[2-(1-formyl-4-guan...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O Show InChI InChI=1S/C24H42N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h15-19H,4-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against plasmin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50046362
(CHEMBL319930 | {1-Cyclohexyl-2-[2-(1-formyl-4-guan...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O Show InChI InChI=1S/C24H42N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h15-19H,4-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50046362
(CHEMBL319930 | {1-Cyclohexyl-2-[2-(1-formyl-4-guan...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O Show InChI InChI=1S/C24H42N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h15-19H,4-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against trypsin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50046362
(CHEMBL319930 | {1-Cyclohexyl-2-[2-(1-formyl-4-guan...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O Show InChI InChI=1S/C24H42N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h15-19H,4-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against plasmin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50046362
(CHEMBL319930 | {1-Cyclohexyl-2-[2-(1-formyl-4-guan...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O Show InChI InChI=1S/C24H42N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h15-19H,4-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1 | 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 | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50046365
(1-(2-Phenyl-butyryl)-pyrrolidine-2-carboxylic acid...)Show SMILES C[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccccc1 Show InChI InChI=1S/C20H29N5O3/c1-14(15-7-3-2-4-8-15)19(28)25-12-6-10-17(25)18(27)24-16(13-26)9-5-11-23-20(21)22/h2-4,7-8,13-14,16-17H,5-6,9-12H2,1H3,(H,24,27)(H4,21,22,23)/t14-,16?,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50046372
(CHEMBL318998 | {2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1 Show InChI InChI=1S/C24H36N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h4-6,9-10,15,17-19H,7-8,11-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1 | 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 | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50046372
(CHEMBL318998 | {2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1 Show InChI InChI=1S/C24H36N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h4-6,9-10,15,17-19H,7-8,11-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50046372
(CHEMBL318998 | {2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1 Show InChI InChI=1S/C24H36N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h4-6,9-10,15,17-19H,7-8,11-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against trypsin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50046372
(CHEMBL318998 | {2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1 Show InChI InChI=1S/C24H36N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h4-6,9-10,15,17-19H,7-8,11-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against plasmin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50046372
(CHEMBL318998 | {2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1 Show InChI InChI=1S/C24H36N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h4-6,9-10,15,17-19H,7-8,11-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for inhibitory activity against t-PA (tissue plasminogen activator) |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50046368
(CHEMBL320988 | [2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H35F3N6O5/c1-24(2,3)39-23(38)33-19(15-7-4-8-16(13-15)25(26,27)28)21(37)34-12-6-10-18(34)20(36)32-17(14-35)9-5-11-31-22(29)30/h4,7-8,13-14,17-19H,5-6,9-12H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t17?,18-,19?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against plasmin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50046363
(1-(2-Phenyl-pentanoyl)-pyrrolidine-2-carboxylic ac...)Show SMILES CC[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccccc1 Show InChI InChI=1S/C21H31N5O3/c1-2-17(15-8-4-3-5-9-15)20(29)26-13-7-11-18(26)19(28)25-16(14-27)10-6-12-24-21(22)23/h3-5,8-9,14,16-18H,2,6-7,10-13H2,1H3,(H,25,28)(H4,22,23,24)/t16?,17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50046361
(CHEMBL2370418 | {2-[2-(1-Formyl-4-guanidino-butylc...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccsc1 Show InChI InChI=1S/C22H34N6O5S/c1-22(2,3)33-21(32)27-17(14-8-11-34-13-14)19(31)28-10-5-7-16(28)18(30)26-15(12-29)6-4-9-25-20(23)24/h8,11-13,15-17H,4-7,9-10H2,1-3H3,(H,26,30)(H,27,32)(H4,23,24,25)/t15-,16-,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against plasmin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50046359
(CHEMBL109109 | {2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12 Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19?,22-,23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against plasmin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50046373
(CHEMBL108670 | {1-(3,4-Dichloro-phenyl)-2-[2-(1-fo...)Show SMILES CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H34Cl2N6O5/c1-24(2,3)37-23(36)31-19(14-8-9-16(25)17(26)12-14)21(35)32-11-5-7-18(32)20(34)30-15(13-33)6-4-10-29-22(27)28/h8-9,12-13,15,18-19H,4-7,10-11H2,1-3H3,(H,30,34)(H,31,36)(H4,27,28,29)/t15?,18-,19?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against plasmin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50046365
(1-(2-Phenyl-butyryl)-pyrrolidine-2-carboxylic acid...)Show SMILES C[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccccc1 Show InChI InChI=1S/C20H29N5O3/c1-14(15-7-3-2-4-8-15)19(28)25-12-6-10-17(25)18(27)24-16(13-26)9-5-11-23-20(21)22/h2-4,7-8,13-14,16-17H,5-6,9-12H2,1H3,(H,24,27)(H4,21,22,23)/t14-,16?,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against trypsin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50046361
(CHEMBL2370418 | {2-[2-(1-Formyl-4-guanidino-butylc...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccsc1 Show InChI InChI=1S/C22H34N6O5S/c1-22(2,3)33-21(32)27-17(14-8-11-34-13-14)19(31)28-10-5-7-16(28)18(30)26-15(12-29)6-4-9-25-20(23)24/h8,11-13,15-17H,4-7,9-10H2,1-3H3,(H,26,30)(H,27,32)(H4,23,24,25)/t15-,16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50046361
(CHEMBL2370418 | {2-[2-(1-Formyl-4-guanidino-butylc...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccsc1 Show InChI InChI=1S/C22H34N6O5S/c1-22(2,3)33-21(32)27-17(14-8-11-34-13-14)19(31)28-10-5-7-16(28)18(30)26-15(12-29)6-4-9-25-20(23)24/h8,11-13,15-17H,4-7,9-10H2,1-3H3,(H,26,30)(H,27,32)(H4,23,24,25)/t15-,16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50046360
(CHEMBL104472 | {1-Benzyl-2-[2-(1-formyl-4-guanidin...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against plasmin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50046361
(CHEMBL2370418 | {2-[2-(1-Formyl-4-guanidino-butylc...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccsc1 Show InChI InChI=1S/C22H34N6O5S/c1-22(2,3)33-21(32)27-17(14-8-11-34-13-14)19(31)28-10-5-7-16(28)18(30)26-15(12-29)6-4-9-25-20(23)24/h8,11-13,15-17H,4-7,9-10H2,1-3H3,(H,26,30)(H,27,32)(H4,23,24,25)/t15-,16-,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for inhibitory activity against t-PA (tissue plasminogen activator) |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50046361
(CHEMBL2370418 | {2-[2-(1-Formyl-4-guanidino-butylc...)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccsc1 Show InChI InChI=1S/C22H34N6O5S/c1-22(2,3)33-21(32)27-17(14-8-11-34-13-14)19(31)28-10-5-7-16(28)18(30)26-15(12-29)6-4-9-25-20(23)24/h8,11-13,15-17H,4-7,9-10H2,1-3H3,(H,26,30)(H,27,32)(H4,23,24,25)/t15-,16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against trypsin |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50046359
(CHEMBL109109 | {2-[2-(1-Formyl-4-guanidino-butylca...)Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12 Show InChI InChI=1S/C28H38N6O5/c1-28(2,3)39-27(38)33-23(21-13-6-10-18-9-4-5-12-20(18)21)25(37)34-16-8-14-22(34)24(36)32-19(17-35)11-7-15-31-26(29)30/h4-6,9-10,12-13,17,19,22-23H,7-8,11,14-16H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t19?,22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
J Med Chem 36: 314-9 (1993)
BindingDB Entry DOI: 10.7270/Q2930S8J |
More data for this
Ligand-Target Pair | |
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