Found 92 hits Enz. Inhib. hit(s) with all data for entry = 50036685 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)) | BDBM50068485
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(=N)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C33H39N5O5/c1-3-41-32(39)30(43-29-13-4-22-14-17-38(33(35)36)21-25(22)20-29)23-5-11-27(12-6-23)42-28-15-18-37(19-16-28)31(34)24-7-9-26(40-2)10-8-24/h4-13,20,28,30,34H,3,14-19,21H2,1-2H3,(H3,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068501
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES COc1ccc(cc1)C(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C31H35N5O5/c1-39-24-7-5-22(6-8-24)29(32)35-16-13-26(14-17-35)40-25-9-3-21(4-10-25)28(30(37)38)41-27-11-2-20-12-15-36(31(33)34)19-23(20)18-27/h2-11,18,26,28,32H,12-17,19H2,1H3,(H3,33,34)(H,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068490
(CHEMBL146940 | [4-(1-Carbamimidoyl-piperidin-4-ylo...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(N)=N)cc1 Show InChI InChI=1S/C26H34N6O4/c1-2-34-24(33)23(36-22-8-3-17-9-12-32(26(29)30)16-19(17)15-22)18-4-6-20(7-5-18)35-21-10-13-31(14-11-21)25(27)28/h3-8,15,21,23H,2,9-14,16H2,1H3,(H3,27,28)(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068494
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)cc1 Show InChI InChI=1S/C27H35N5O4/c1-3-34-26(33)25(36-24-9-4-19-10-13-32(27(29)30)17-21(19)16-24)20-5-7-22(8-6-20)35-23-11-14-31(15-12-23)18(2)28/h4-9,16,23,25,28H,3,10-15,17H2,1-2H3,(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068493
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(=N)CC)cc1 Show InChI InChI=1S/C28H37N5O4/c1-3-25(29)32-15-12-23(13-16-32)36-22-8-6-20(7-9-22)26(27(34)35-4-2)37-24-10-5-19-11-14-33(28(30)31)18-21(19)17-24/h5-10,17,23,26,29H,3-4,11-16,18H2,1-2H3,(H3,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068488
((S)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...)Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068487
(CHEMBL148357 | [4-(1-Carbamimidoyl-piperidin-4-ylo...)Show SMILES NC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C24H30N6O4/c25-23(26)29-11-8-19(9-12-29)33-18-4-2-16(3-5-18)21(22(31)32)34-20-6-1-15-7-10-30(24(27)28)14-17(15)13-20/h1-6,13,19,21H,7-12,14H2,(H3,25,26)(H3,27,28)(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068506
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C25H31N5O4/c1-16(26)29-12-9-21(10-13-29)33-20-5-3-18(4-6-20)23(24(31)32)34-22-7-2-17-8-11-30(25(27)28)15-19(17)14-22/h2-7,14,21,23,26H,8-13,15H2,1H3,(H3,27,28)(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068493
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(=N)CC)cc1 Show InChI InChI=1S/C28H37N5O4/c1-3-25(29)32-15-12-23(13-16-32)36-22-8-6-20(7-9-22)26(27(34)35-4-2)37-24-10-5-19-11-14-33(28(30)31)18-21(19)17-24/h5-10,17,23,26,29H,3-4,11-16,18H2,1-2H3,(H3,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068499
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C24H29N5O4/c1-15(25)28-11-9-21(14-28)32-19-5-3-17(4-6-19)22(23(30)31)33-20-7-2-16-8-10-29(24(26)27)13-18(16)12-20/h2-7,12,21-22,25H,8-11,13-14H2,1H3,(H3,26,27)(H,30,31)/t21-,22?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068502
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C(C)=N)cc1 Show InChI InChI=1S/C26H33N5O4/c1-3-33-25(32)24(35-22-9-4-18-10-12-31(26(28)29)15-20(18)14-22)19-5-7-21(8-6-19)34-23-11-13-30(16-23)17(2)27/h4-9,14,23-24,27H,3,10-13,15-16H2,1-2H3,(H3,28,29)/t23-,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068485
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(=N)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C33H39N5O5/c1-3-41-32(39)30(43-29-13-4-22-14-17-38(33(35)36)21-25(22)20-29)23-5-11-27(12-6-23)42-28-15-18-37(19-16-28)31(34)24-7-9-26(40-2)10-8-24/h4-13,20,28,30,34H,3,14-19,21H2,1-2H3,(H3,35,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068491
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CC1(C)CC(=O)C=C(C1)N1CC[C@@H](C1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O |c:6| Show InChI InChI=1S/C30H36N4O5/c1-30(2)15-22(14-23(35)16-30)33-12-10-26(18-33)38-24-6-4-20(5-7-24)27(28(36)37)39-25-8-3-19-9-11-34(29(31)32)17-21(19)13-25/h3-8,13-14,26-27H,9-12,15-18H2,1-2H3,(H3,31,32)(H,36,37)/t26-,27?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068500
(CHEMBL344309 | [4-((S)-1-Carbamimidoyl-pyrrolidin-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C(N)=N)cc1 Show InChI InChI=1S/C25H32N6O4/c1-2-33-23(32)22(35-20-8-3-16-9-11-30(24(26)27)14-18(16)13-20)17-4-6-19(7-5-17)34-21-10-12-31(15-21)25(28)29/h3-8,13,21-22H,2,9-12,14-15H2,1H3,(H3,26,27)(H3,28,29)/t21-,22?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068501
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES COc1ccc(cc1)C(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C31H35N5O5/c1-39-24-7-5-22(6-8-24)29(32)35-16-13-26(14-17-35)40-25-9-3-21(4-10-25)28(30(37)38)41-27-11-2-20-12-15-36(31(33)34)19-23(20)18-27/h2-11,18,26,28,32H,12-17,19H2,1H3,(H3,33,34)(H,37,38) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068484
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C2=CC(=O)CC(C)(C)C2)cc1 |t:33| Show InChI InChI=1S/C32H40N4O5/c1-4-39-30(38)29(41-27-10-5-21-11-13-36(31(33)34)19-23(21)15-27)22-6-8-26(9-7-22)40-28-12-14-35(20-28)24-16-25(37)18-32(2,3)17-24/h5-10,15-16,28-29H,4,11-14,17-20H2,1-3H3,(H3,33,34)/t28-,29?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068490
(CHEMBL146940 | [4-(1-Carbamimidoyl-piperidin-4-ylo...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(N)=N)cc1 Show InChI InChI=1S/C26H34N6O4/c1-2-34-24(33)23(36-22-8-3-17-9-12-32(26(29)30)16-19(17)15-22)18-4-6-20(7-5-18)35-21-10-13-31(14-11-21)25(27)28/h3-8,15,21,23H,2,9-14,16H2,1H3,(H3,27,28)(H3,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068487
(CHEMBL148357 | [4-(1-Carbamimidoyl-piperidin-4-ylo...)Show SMILES NC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C24H30N6O4/c25-23(26)29-11-8-19(9-12-29)33-18-4-2-16(3-5-18)21(22(31)32)34-20-6-1-15-7-10-30(24(27)28)14-17(15)13-20/h1-6,13,19,21H,7-12,14H2,(H3,25,26)(H3,27,28)(H,31,32) | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068486
(CHEMBL147988 | [4-((S)-1-Carbamimidoyl-pyrrolidin-...)Show SMILES NC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C23H28N6O4/c24-22(25)28-9-7-14-1-6-18(11-16(14)12-28)33-20(21(30)31)15-2-4-17(5-3-15)32-19-8-10-29(13-19)23(26)27/h1-6,11,19-20H,7-10,12-13H2,(H3,24,25)(H3,26,27)(H,30,31)/t19-,20?/m0/s1 | PDB
MMDB
Reactome pathway
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PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068507
((S)-3-{4-[(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoq...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C(=O)OCC=C)cc1 Show InChI InChI=1S/C28H34N4O6/c1-3-15-36-28(34)32-14-12-24(18-32)37-22-8-6-20(7-9-22)25(26(33)35-4-2)38-23-10-5-19-11-13-31(27(29)30)17-21(19)16-23/h3,5-10,16,24-25H,1,4,11-15,17-18H2,2H3,(H3,29,30)/t24-,25?/m0/s1 | PDB
MMDB
Reactome pathway
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PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068495
(CHEMBL148972 | [4-(1-Acetyl-piperidin-4-yloxy)-phe...)Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C25H30N4O5/c1-16(30)28-12-9-21(10-13-28)33-20-5-3-18(4-6-20)23(24(31)32)34-22-7-2-17-8-11-29(25(26)27)15-19(17)14-22/h2-7,14,21,23H,8-13,15H2,1H3,(H3,26,27)(H,31,32) | PDB
MMDB
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PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068494
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)cc1 Show InChI InChI=1S/C27H35N5O4/c1-3-34-26(33)25(36-24-9-4-19-10-13-32(27(29)30)17-21(19)16-24)20-5-7-22(8-6-20)35-23-11-14-31(15-12-23)18(2)28/h4-9,16,23,25,28H,3,10-15,17H2,1-2H3,(H3,29,30) | PDB
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| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068505
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1 Show InChI InChI=1S/C24H30N4O4/c1-2-30-23(29)22(17-4-6-19(7-5-17)31-21-9-11-27-14-21)32-20-8-3-16-10-12-28(24(25)26)15-18(16)13-20/h3-8,13,21-22,27H,2,9-12,14-15H2,1H3,(H3,25,26)/t21-,22?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068498
(CHEMBL342568 | [4-((S)-1-Allyl-pyrrolidin-3-yloxy)...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(CC=C)C2)cc1 Show InChI InChI=1S/C27H34N4O4/c1-3-13-30-14-12-24(18-30)34-22-8-6-20(7-9-22)25(26(32)33-4-2)35-23-10-5-19-11-15-31(27(28)29)17-21(19)16-23/h3,5-10,16,24-25H,1,4,11-15,17-18H2,2H3,(H3,28,29)/t24-,25?/m0/s1 | PDB
MMDB
Reactome pathway
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PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068496
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES NC(=N)N1CCc2ccc(OC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)cc2C1 Show InChI InChI=1S/C22H26N4O4/c23-22(24)26-10-8-14-1-6-18(11-16(14)13-26)30-20(21(27)28)15-2-4-17(5-3-15)29-19-7-9-25-12-19/h1-6,11,19-20,25H,7-10,12-13H2,(H3,23,24)(H,27,28)/t19-,20?/m0/s1 | PDB
MMDB
Reactome pathway
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PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068486
(CHEMBL147988 | [4-((S)-1-Carbamimidoyl-pyrrolidin-...)Show SMILES NC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C23H28N6O4/c24-22(25)28-9-7-14-1-6-18(11-16(14)12-28)33-20(21(30)31)15-2-4-17(5-3-15)32-19-8-10-29(13-19)23(26)27/h1-6,11,19-20H,7-10,12-13H2,(H3,24,25)(H3,26,27)(H,30,31)/t19-,20?/m0/s1 | PDB
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068506
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C25H31N5O4/c1-16(26)29-12-9-21(10-13-29)33-20-5-3-18(4-6-20)23(24(31)32)34-22-7-2-17-8-11-30(25(27)28)15-19(17)14-22/h2-7,14,21,23,26H,8-13,15H2,1H3,(H3,27,28)(H,31,32) | PDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068488
((S)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...)Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1 | PDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068504
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES NC(=N)N1CCc2ccc(OC(C(O)=O)c3ccc(OC4CCNCC4)cc3)cc2C1 Show InChI InChI=1S/C23H28N4O4/c24-23(25)27-12-9-15-1-6-20(13-17(15)14-27)31-21(22(28)29)16-2-4-18(5-3-16)30-19-7-10-26-11-8-19/h1-6,13,19,21,26H,7-12,14H2,(H3,24,25)(H,28,29) | PDB
MMDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068502
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C(C)=N)cc1 Show InChI InChI=1S/C26H33N5O4/c1-3-33-25(32)24(35-22-9-4-18-10-12-31(26(28)29)15-20(18)14-22)19-5-7-21(8-6-19)34-23-11-13-30(16-23)17(2)27/h4-9,14,23-24,27H,3,10-13,15-16H2,1-2H3,(H3,28,29)/t23-,24?/m0/s1 | PDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068503
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C25H32N4O4/c1-2-31-24(30)23(18-4-6-20(7-5-18)32-21-9-12-28-13-10-21)33-22-8-3-17-11-14-29(25(26)27)16-19(17)15-22/h3-8,15,21,23,28H,2,9-14,16H2,1H3,(H3,26,27) | PDB
MMDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068500
(CHEMBL344309 | [4-((S)-1-Carbamimidoyl-pyrrolidin-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C(N)=N)cc1 Show InChI InChI=1S/C25H32N6O4/c1-2-33-23(32)22(35-20-8-3-16-9-11-30(24(26)27)14-18(16)13-20)17-4-6-19(7-5-17)34-21-10-12-31(15-21)25(28)29/h3-8,13,21-22H,2,9-12,14-15H2,1H3,(H3,26,27)(H3,28,29)/t21-,22?/m0/s1 | PDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068492
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCOCC2)cc1 Show InChI InChI=1S/C25H31N3O5/c1-2-31-24(29)23(18-4-6-20(7-5-18)32-21-10-13-30-14-11-21)33-22-8-3-17-9-12-28(25(26)27)16-19(17)15-22/h3-8,15,21,23H,2,9-14,16H2,1H3,(H3,26,27) | PDB
MMDB
Reactome pathway
KEGG
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Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068497
(CHEMBL358566 | [4-(1-Acetyl-piperidin-4-yloxy)-phe...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=O)cc1 Show InChI InChI=1S/C27H34N4O5/c1-3-34-26(33)25(36-24-9-4-19-10-13-31(27(28)29)17-21(19)16-24)20-5-7-22(8-6-20)35-23-11-14-30(15-12-23)18(2)32/h4-9,16,23,25H,3,10-15,17H2,1-2H3,(H3,28,29) | PDB
MMDB
Reactome pathway
KEGG
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PC cid
PC sid
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Similars
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PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068492
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCOCC2)cc1 Show InChI InChI=1S/C25H31N3O5/c1-2-31-24(29)23(18-4-6-20(7-5-18)32-21-10-13-30-14-11-21)33-22-8-3-17-9-12-28(25(26)27)16-19(17)15-22/h3-8,15,21,23H,2,9-14,16H2,1H3,(H3,26,27) | PDB
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| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068489
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES NC(=N)N1CCc2ccc(OC(C(O)=O)c3ccc(OC4CCOCC4)cc3)cc2C1 Show InChI InChI=1S/C23H27N3O5/c24-23(25)26-10-7-15-1-6-20(13-17(15)14-26)31-21(22(27)28)16-2-4-18(5-3-16)30-19-8-11-29-12-9-19/h1-6,13,19,21H,7-12,14H2,(H3,24,25)(H,27,28) | PDB
MMDB
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PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068508
(4-{4-[(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquino...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(=O)OCC=C)cc1 Show InChI InChI=1S/C29H36N4O6/c1-3-17-37-29(35)32-15-12-24(13-16-32)38-23-8-6-21(7-9-23)26(27(34)36-4-2)39-25-10-5-20-11-14-33(28(30)31)19-22(20)18-25/h3,5-10,18,24,26H,1,4,11-17,19H2,2H3,(H3,30,31) | PDB
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PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human Coagulation factor X |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068503
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C25H32N4O4/c1-2-31-24(30)23(18-4-6-20(7-5-18)32-21-9-12-28-13-10-21)33-22-8-3-17-11-14-29(25(26)27)16-19(17)15-22/h3-8,15,21,23,28H,2,9-14,16H2,1H3,(H3,26,27) | PDB
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| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50068508
(4-{4-[(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquino...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(=O)OCC=C)cc1 Show InChI InChI=1S/C29H36N4O6/c1-3-17-37-29(35)32-15-12-24(13-16-32)38-23-8-6-21(7-9-23)26(27(34)36-4-2)39-25-10-5-20-11-14-33(28(30)31)19-22(20)18-25/h3,5-10,18,24,26H,1,4,11-17,19H2,2H3,(H3,30,31) | PDB
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| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human thrombin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50068485
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(=N)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C33H39N5O5/c1-3-41-32(39)30(43-29-13-4-22-14-17-38(33(35)36)21-25(22)20-29)23-5-11-27(12-6-23)42-28-15-18-37(19-16-28)31(34)24-7-9-26(40-2)10-8-24/h4-13,20,28,30,34H,3,14-19,21H2,1-2H3,(H3,35,36) | PDB
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| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human thrombin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068495
(CHEMBL148972 | [4-(1-Acetyl-piperidin-4-yloxy)-phe...)Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C25H30N4O5/c1-16(30)28-12-9-21(10-13-28)33-20-5-3-18(4-6-20)23(24(31)32)34-22-7-2-17-8-11-29(25(26)27)15-19(17)14-22/h2-7,14,21,23H,8-13,15H2,1H3,(H3,26,27)(H,31,32) | PDB
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PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068504
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES NC(=N)N1CCc2ccc(OC(C(O)=O)c3ccc(OC4CCNCC4)cc3)cc2C1 Show InChI InChI=1S/C23H28N4O4/c24-23(25)27-12-9-15-1-6-20(13-17(15)14-27)31-21(22(28)29)16-2-4-18(5-3-16)30-19-7-10-26-11-8-19/h1-6,13,19,21,26H,7-12,14H2,(H3,24,25)(H,28,29) | PDB
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| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068505
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1 Show InChI InChI=1S/C24H30N4O4/c1-2-30-23(29)22(17-4-6-19(7-5-17)31-21-9-11-27-14-21)32-20-8-3-16-10-12-28(24(25)26)15-18(16)13-20/h3-8,13,21-22,27H,2,9-12,14-15H2,1H3,(H3,25,26)/t21-,22?/m0/s1 | PDB
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| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50068492
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCOCC2)cc1 Show InChI InChI=1S/C25H31N3O5/c1-2-31-24(29)23(18-4-6-20(7-5-18)32-21-10-13-30-14-11-21)33-22-8-3-17-9-12-28(25(26)27)16-19(17)15-22/h3-8,15,21,23H,2,9-14,16H2,1H3,(H3,26,27) | PDB
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| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human thrombin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50068490
(CHEMBL146940 | [4-(1-Carbamimidoyl-piperidin-4-ylo...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(N)=N)cc1 Show InChI InChI=1S/C26H34N6O4/c1-2-34-24(33)23(36-22-8-3-17-9-12-32(26(29)30)16-19(17)15-22)18-4-6-20(7-5-18)35-21-10-13-31(14-11-21)25(27)28/h3-8,15,21,23H,2,9-14,16H2,1H3,(H3,27,28)(H3,29,30) | PDB
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PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human thrombin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068507
((S)-3-{4-[(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoq...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C(=O)OCC=C)cc1 Show InChI InChI=1S/C28H34N4O6/c1-3-15-36-28(34)32-14-12-24(18-32)37-22-8-6-20(7-9-22)25(26(33)35-4-2)38-23-10-5-19-11-13-31(27(29)30)17-21(19)16-23/h3,5-10,16,24-25H,1,4,11-15,17-18H2,2H3,(H3,29,30)/t24-,25?/m0/s1 | PDB
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| 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068484
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C2=CC(=O)CC(C)(C)C2)cc1 |t:33| Show InChI InChI=1S/C32H40N4O5/c1-4-39-30(38)29(41-27-10-5-21-11-13-36(31(33)34)19-23(21)15-27)22-6-8-26(9-7-22)40-28-12-14-35(20-28)24-16-25(37)18-32(2,3)17-24/h5-10,15-16,28-29H,4,11-14,17-20H2,1-3H3,(H3,33,34)/t28-,29?/m0/s1 | PDB
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50068497
(CHEMBL358566 | [4-(1-Acetyl-piperidin-4-yloxy)-phe...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=O)cc1 Show InChI InChI=1S/C27H34N4O5/c1-3-34-26(33)25(36-24-9-4-19-10-13-31(27(28)29)17-21(19)16-24)20-5-7-22(8-6-20)35-23-11-14-30(15-12-23)18(2)32/h4-9,16,23,25H,3,10-15,17H2,1-2H3,(H3,28,29) | PDB
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human plasmin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50068496
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES NC(=N)N1CCc2ccc(OC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)cc2C1 Show InChI InChI=1S/C22H26N4O4/c23-22(24)26-10-8-14-1-6-18(11-16(14)13-26)30-20(21(27)28)15-2-4-17(5-3-15)29-19-7-9-25-12-19/h1-6,11,19-20,25H,7-10,12-13H2,(H3,23,24)(H,27,28)/t19-,20?/m0/s1 | PDB
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human plasmin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068497
(CHEMBL358566 | [4-(1-Acetyl-piperidin-4-yloxy)-phe...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=O)cc1 Show InChI InChI=1S/C27H34N4O5/c1-3-34-26(33)25(36-24-9-4-19-10-13-31(27(28)29)17-21(19)16-24)20-5-7-22(8-6-20)35-23-11-14-30(15-12-23)18(2)32/h4-9,16,23,25H,3,10-15,17H2,1-2H3,(H3,28,29) | PDB
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
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