Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50012856 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)) | BDBM50123431
(7-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-oxo-2...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3ccc4ccc(cc4c3)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C27H29N5O3/c1-17(28)31-10-8-22(9-11-31)35-23-6-7-24-25(14-23)34-16-26(33)32(24)15-18-2-3-19-4-5-20(27(29)30)13-21(19)12-18/h2-7,12-14,22,28H,8-11,15-16H2,1H3,(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123417
(2-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2ccc(cc2n1C)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C25H32N6O3S/c1-17(26)30-12-10-23(11-13-30)34-22-8-6-20(7-9-22)31(35(3,32)33)16-21-14-18-4-5-19(25(27)28)15-24(18)29(21)2/h4-9,14-15,23,26H,10-13,16H2,1-3H3,(H3,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123412
(1-Ethyl-2-{7-[1-(1-imino-ethyl)-piperidin-4-yloxy]...)Show SMILES CCn1c(CN2C(=O)COc3cc(OC4CCN(CC4)C(C)=N)ccc23)cc2ccc(cc12)C(N)=N Show InChI InChI=1S/C27H32N6O3/c1-3-32-20(12-18-4-5-19(27(29)30)13-24(18)32)15-33-23-7-6-22(14-25(23)35-16-26(33)34)36-21-8-10-31(11-9-21)17(2)28/h4-7,12-14,21,28H,3,8-11,15-16H2,1-2H3,(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123426
(2-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-oxo-2...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3cc4ccc(cc4n3C)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C26H30N6O3/c1-16(27)31-9-7-20(8-10-31)35-21-5-6-22-24(13-21)34-15-25(33)32(22)14-19-11-17-3-4-18(26(28)29)12-23(17)30(19)2/h3-6,11-13,20,27H,7-10,14-15H2,1-2H3,(H3,28,29) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50084617
(((7-carbamimidoyl-naphthalen-2-ylmethyl)-{4-[1-(1-...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(=O)(=O)CC(O)=O Show InChI InChI=1S/C27H31N5O5S/c1-18(28)31-12-10-25(11-13-31)37-24-8-6-23(7-9-24)32(38(35,36)17-26(33)34)16-19-2-3-20-4-5-21(27(29)30)15-22(20)14-19/h2-9,14-15,25,28H,10-13,16-17H2,1H3,(H3,29,30)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123414
(((5-Carbamimidoyl-benzo[b]thiophen-2-ylmethyl)-{4-...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2cc(ccc2s1)C(N)=N)S(=O)(=O)CC(O)=O Show InChI InChI=1S/C25H29N5O5S2/c1-16(26)29-10-8-21(9-11-29)35-20-5-3-19(4-6-20)30(37(33,34)15-24(31)32)14-22-13-18-12-17(25(27)28)2-7-23(18)36-22/h2-7,12-13,21,26H,8-11,14-15H2,1H3,(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
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123429
(((3'-Carbamimidoyl-biphenyl-3-ylmethyl)-{4-[1-(1-i...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cccc(c1)-c1cccc(c1)C(N)=N)S(=O)(=O)CC(O)=O Show InChI InChI=1S/C29H33N5O5S/c1-20(30)33-14-12-27(13-15-33)39-26-10-8-25(9-11-26)34(40(37,38)19-28(35)36)18-21-4-2-5-22(16-21)23-6-3-7-24(17-23)29(31)32/h2-11,16-17,27,30H,12-15,18-19H2,1H3,(H3,31,32)(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123427
(3'-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-oxo-...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3cccc(c3)-c3cccc(c3)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C29H31N5O3/c1-19(30)33-12-10-24(11-13-33)37-25-8-9-26-27(16-25)36-18-28(35)34(26)17-20-4-2-5-21(14-20)22-6-3-7-23(15-22)29(31)32/h2-9,14-16,24,30H,10-13,17-18H2,1H3,(H3,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123422
(((7-Carbamimidoyl-naphthalen-2-ylmethyl)-{4-[1-(1-...)Show SMILES CCOC(=O)CS(=O)(=O)N(Cc1ccc2ccc(cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)cc1 Show InChI InChI=1S/C29H35N5O5S/c1-3-38-28(35)19-40(36,37)34(18-21-4-5-22-6-7-23(29(31)32)17-24(22)16-21)25-8-10-26(11-9-25)39-27-12-14-33(15-13-27)20(2)30/h4-11,16-17,27,30H,3,12-15,18-19H2,1-2H3,(H3,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123420
(7-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C26H31N5O3S/c1-18(27)30-13-11-25(12-14-30)34-24-9-7-23(8-10-24)31(35(2,32)33)17-19-3-4-20-5-6-21(26(28)29)16-22(20)15-19/h3-10,15-16,25,27H,11-14,17H2,1-2H3,(H3,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123407
(2-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2cc(ccc2s1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C24H29N5O3S2/c1-16(25)28-11-9-21(10-12-28)32-20-6-4-19(5-7-20)29(34(2,30)31)15-22-14-18-13-17(24(26)27)3-8-23(18)33-22/h3-8,13-14,21,25H,9-12,15H2,1-2H3,(H3,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123431
(7-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-oxo-2...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3ccc4ccc(cc4c3)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C27H29N5O3/c1-17(28)31-10-8-22(9-11-31)35-23-6-7-24-25(14-23)34-16-26(33)32(24)15-18-2-3-19-4-5-20(27(29)30)13-21(19)12-18/h2-7,12-14,22,28H,8-11,15-16H2,1H3,(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123425
(((3'-Carbamimidoyl-biphenyl-3-ylmethyl)-{4-[1-(1-i...)Show SMILES CCOC(=O)CS(=O)(=O)N(Cc1cccc(c1)-c1cccc(c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)cc1 Show InChI InChI=1S/C31H37N5O5S/c1-3-40-30(37)21-42(38,39)36(20-23-6-4-7-24(18-23)25-8-5-9-26(19-25)31(33)34)27-10-12-28(13-11-27)41-29-14-16-35(17-15-29)22(2)32/h4-13,18-19,29,32H,3,14-17,20-21H2,1-2H3,(H3,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123415
(3'-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phen...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cccc(c1)-c1cccc(c1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C28H33N5O3S/c1-20(29)32-15-13-27(14-16-32)36-26-11-9-25(10-12-26)33(37(2,34)35)19-21-5-3-6-22(17-21)23-7-4-8-24(18-23)28(30)31/h3-12,17-18,27,29H,13-16,19H2,1-2H3,(H3,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123416
(((5-Carbamimidoyl-benzo[b]thiophen-2-ylmethyl)-{4-...)Show SMILES CCOC(=O)CS(=O)(=O)N(Cc1cc2cc(ccc2s1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)cc1 Show InChI InChI=1S/C27H33N5O5S2/c1-3-36-26(33)17-39(34,35)32(16-24-15-20-14-19(27(29)30)4-9-25(20)38-24)21-5-7-22(8-6-21)37-23-10-12-31(13-11-23)18(2)28/h4-9,14-15,23,28H,3,10-13,16-17H2,1-2H3,(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123421
(3-{5-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-ph...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc(no1)-c1cccc(c1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C25H30N6O4S/c1-17(26)30-12-10-22(11-13-30)34-21-8-6-20(7-9-21)31(36(2,32)33)16-23-15-24(29-35-23)18-4-3-5-19(14-18)25(27)28/h3-9,14-15,22,26H,10-13,16H2,1-2H3,(H3,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50123407
(2-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2cc(ccc2s1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C24H29N5O3S2/c1-16(25)28-11-9-21(10-12-28)32-20-6-4-19(5-7-20)29(34(2,30)31)15-22-14-18-13-17(24(26)27)3-8-23(18)33-22/h3-8,13-14,21,25H,9-12,15H2,1-2H3,(H3,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123408
(4'-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phen...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccc(cc1)-c1cccc(c1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C28H33N5O3S/c1-20(29)32-16-14-27(15-17-32)36-26-12-10-25(11-13-26)33(37(2,34)35)19-21-6-8-22(9-7-21)23-4-3-5-24(18-23)28(30)31/h3-13,18,27,29H,14-17,19H2,1-2H3,(H3,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50123417
(2-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2ccc(cc2n1C)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C25H32N6O3S/c1-17(26)30-12-10-23(11-13-30)34-22-8-6-20(7-9-22)31(35(3,32)33)16-21-14-18-4-5-19(25(27)28)15-24(18)29(21)2/h4-9,14-15,23,26H,10-13,16H2,1-3H3,(H3,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50123431
(7-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-oxo-2...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3ccc4ccc(cc4c3)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C27H29N5O3/c1-17(28)31-10-8-22(9-11-31)35-23-6-7-24-25(14-23)34-16-26(33)32(24)15-18-2-3-19-4-5-20(27(29)30)13-21(19)12-18/h2-7,12-14,22,28H,8-11,15-16H2,1H3,(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123413
(2-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2cc(ccc2n1C)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C25H32N6O3S/c1-17(26)30-12-10-23(11-13-30)34-22-7-5-20(6-8-22)31(35(3,32)33)16-21-15-19-14-18(25(27)28)4-9-24(19)29(21)2/h4-9,14-15,23,26H,10-13,16H2,1-3H3,(H3,27,28) | 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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123419
(3-(5-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-ox...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3cc(no3)-c3cccc(c3)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C26H28N6O4/c1-16(27)31-9-7-19(8-10-31)35-20-5-6-23-24(13-20)34-15-25(33)32(23)14-21-12-22(30-36-21)17-3-2-4-18(11-17)26(28)29/h2-6,11-13,19,27H,7-10,14-15H2,1H3,(H3,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50123412
(1-Ethyl-2-{7-[1-(1-imino-ethyl)-piperidin-4-yloxy]...)Show SMILES CCn1c(CN2C(=O)COc3cc(OC4CCN(CC4)C(C)=N)ccc23)cc2ccc(cc12)C(N)=N Show InChI InChI=1S/C27H32N6O3/c1-3-32-20(12-18-4-5-19(27(29)30)13-24(18)32)15-33-23-7-6-22(14-25(23)35-16-26(33)34)36-21-8-10-31(11-9-21)17(2)28/h4-7,12-14,21,28H,3,8-11,15-16H2,1-2H3,(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50123414
(((5-Carbamimidoyl-benzo[b]thiophen-2-ylmethyl)-{4-...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2cc(ccc2s1)C(N)=N)S(=O)(=O)CC(O)=O Show InChI InChI=1S/C25H29N5O5S2/c1-16(26)29-10-8-21(9-11-29)35-20-5-3-19(4-6-20)30(37(33,34)15-24(31)32)14-22-13-18-12-17(25(27)28)2-7-23(18)36-22/h2-7,12-13,21,26H,8-11,14-15H2,1H3,(H3,27,28)(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50084617
(((7-carbamimidoyl-naphthalen-2-ylmethyl)-{4-[1-(1-...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(=O)(=O)CC(O)=O Show InChI InChI=1S/C27H31N5O5S/c1-18(28)31-12-10-25(11-13-31)37-24-8-6-23(7-9-24)32(38(35,36)17-26(33)34)16-19-2-3-20-4-5-21(27(29)30)15-22(20)14-19/h2-9,14-15,25,28H,10-13,16-17H2,1H3,(H3,29,30)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50123426
(2-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-oxo-2...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3cc4ccc(cc4n3C)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C26H30N6O3/c1-16(27)31-9-7-20(8-10-31)35-21-5-6-22-24(13-21)34-15-25(33)32(22)14-19-11-17-3-4-18(26(28)29)12-23(17)30(19)2/h3-6,11-13,20,27H,7-10,14-15H2,1-2H3,(H3,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50123422
(((7-Carbamimidoyl-naphthalen-2-ylmethyl)-{4-[1-(1-...)Show SMILES CCOC(=O)CS(=O)(=O)N(Cc1ccc2ccc(cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)cc1 Show InChI InChI=1S/C29H35N5O5S/c1-3-38-28(35)19-40(36,37)34(18-21-4-5-22-6-7-23(29(31)32)17-24(22)16-21)25-8-10-26(11-9-25)39-27-12-14-33(15-13-27)20(2)30/h4-11,16-17,27,30H,3,12-15,18-19H2,1-2H3,(H3,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50123416
(((5-Carbamimidoyl-benzo[b]thiophen-2-ylmethyl)-{4-...)Show SMILES CCOC(=O)CS(=O)(=O)N(Cc1cc2cc(ccc2s1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)cc1 Show InChI InChI=1S/C27H33N5O5S2/c1-3-36-26(33)17-39(34,35)32(16-24-15-20-14-19(27(29)30)4-9-25(20)38-24)21-5-7-22(8-6-21)37-23-10-12-31(13-11-23)18(2)28/h4-9,14-15,23,28H,3,10-13,16-17H2,1-2H3,(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50123420
(7-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C26H31N5O3S/c1-18(27)30-13-11-25(12-14-30)34-24-9-7-23(8-10-24)31(35(2,32)33)17-19-3-4-20-5-6-21(26(28)29)16-22(20)15-19/h3-10,15-16,25,27H,11-14,17H2,1-2H3,(H3,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50123427
(3'-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-oxo-...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3cccc(c3)-c3cccc(c3)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C29H31N5O3/c1-19(30)33-12-10-24(11-13-33)37-25-8-9-26-27(16-25)36-18-28(35)34(26)17-20-4-2-5-21(14-20)22-6-3-7-23(15-22)29(31)32/h2-9,14-16,24,30H,10-13,17-18H2,1H3,(H3,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123433
(7-{[Methanesulfonyl-(2'-sulfamoyl-biphenyl-4-yl)-a...)Show SMILES CS(=O)(=O)N(Cc1ccc2ccc(cc2c1)C(N)=N)c1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C25H24N4O4S2/c1-34(30,31)29(16-17-6-7-18-8-9-20(25(26)27)15-21(18)14-17)22-12-10-19(11-13-22)23-4-2-3-5-24(23)35(28,32)33/h2-15H,16H2,1H3,(H3,26,27)(H2,28,32,33) | 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 | 153 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50123413
(2-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-pheny...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc2cc(ccc2n1C)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C25H32N6O3S/c1-17(26)30-12-10-23(11-13-30)34-22-7-5-20(6-8-22)31(35(3,32)33)16-21-15-19-14-18(25(27)28)4-9-24(19)29(21)2/h4-9,14-15,23,26H,10-13,16H2,1-3H3,(H3,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 167 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123430
(3'-{[Methanesulfonyl-(2'-sulfamoyl-biphenyl-4-yl)-...)Show SMILES CS(=O)(=O)N(Cc1cccc(c1)-c1cccc(c1)C(N)=N)c1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C27H26N4O4S2/c1-36(32,33)31(18-19-6-4-7-21(16-19)22-8-5-9-23(17-22)27(28)29)24-14-12-20(13-15-24)25-10-2-3-11-26(25)37(30,34)35/h2-17H,18H2,1H3,(H3,28,29)(H2,30,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50123429
(((3'-Carbamimidoyl-biphenyl-3-ylmethyl)-{4-[1-(1-i...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cccc(c1)-c1cccc(c1)C(N)=N)S(=O)(=O)CC(O)=O Show InChI InChI=1S/C29H33N5O5S/c1-20(30)33-14-12-27(13-15-33)39-26-10-8-25(9-11-26)34(40(37,38)19-28(35)36)18-21-4-2-5-22(16-21)23-6-3-7-24(17-23)29(31)32/h2-11,16-17,27,30H,12-15,18-19H2,1H3,(H3,31,32)(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 269 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50123425
(((3'-Carbamimidoyl-biphenyl-3-ylmethyl)-{4-[1-(1-i...)Show SMILES CCOC(=O)CS(=O)(=O)N(Cc1cccc(c1)-c1cccc(c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)cc1 Show InChI InChI=1S/C31H37N5O5S/c1-3-40-30(37)21-42(38,39)36(20-23-6-4-7-24(18-23)25-8-5-9-26(19-25)31(33)34)27-10-12-28(13-11-27)41-29-14-16-35(17-15-29)22(2)32/h4-13,18-19,29,32H,3,14-17,20-21H2,1-2H3,(H3,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 292 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50123415
(3'-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phen...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cccc(c1)-c1cccc(c1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C28H33N5O3S/c1-20(29)32-15-13-27(14-16-32)36-26-11-9-25(10-12-26)33(37(2,34)35)19-21-5-3-6-22(17-21)23-7-4-8-24(18-23)28(30)31/h3-12,17-18,27,29H,13-16,19H2,1-2H3,(H3,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123434
(3-(5-{[Methanesulfonyl-(2'-sulfamoyl-biphenyl-4-yl...)Show SMILES Cc1cc(CN(c2ccc(cc2)-c2ccccc2S(N)(=O)=O)S(C)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H26N6O4S2/c1-17-14-22(31(29-17)21-7-5-6-19(15-21)25(26)27)16-30(36(2,32)33)20-12-10-18(11-13-20)23-8-3-4-9-24(23)37(28,34)35/h3-15H,16H2,1-2H3,(H3,26,27)(H2,28,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50123408
(4'-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phen...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccc(cc1)-c1cccc(c1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C28H33N5O3S/c1-20(29)32-16-14-27(15-17-32)36-26-12-10-25(11-13-26)33(37(2,34)35)19-21-6-8-22(9-7-21)23-4-3-5-24(18-23)28(30)31/h3-13,18,27,29H,14-17,19H2,1-2H3,(H3,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 769 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50123412
(1-Ethyl-2-{7-[1-(1-imino-ethyl)-piperidin-4-yloxy]...)Show SMILES CCn1c(CN2C(=O)COc3cc(OC4CCN(CC4)C(C)=N)ccc23)cc2ccc(cc12)C(N)=N Show InChI InChI=1S/C27H32N6O3/c1-3-32-20(12-18-4-5-19(27(29)30)13-24(18)32)15-33-23-7-6-22(14-25(23)35-16-26(33)34)36-21-8-10-31(11-9-21)17(2)28/h4-7,12-14,21,28H,3,8-11,15-16H2,1-2H3,(H3,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 877 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of factor II |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50123426
(2-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-oxo-2...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3cc4ccc(cc4n3C)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C26H30N6O3/c1-16(27)31-9-7-20(8-10-31)35-21-5-6-22-24(13-21)34-15-25(33)32(22)14-19-11-17-3-4-18(26(28)29)12-23(17)30(19)2/h3-6,11-13,20,27H,7-10,14-15H2,1-2H3,(H3,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 882 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of factor II |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123423
(3-{3-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-ph...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc(C)n(n1)-c1cccc(c1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C26H33N7O3S/c1-18-15-21(30-33(18)23-6-4-5-20(16-23)26(28)29)17-32(37(3,34)35)22-7-9-24(10-8-22)36-25-11-13-31(14-12-25)19(2)27/h4-10,15-16,25,27H,11-14,17H2,1-3H3,(H3,28,29) | 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 | 934 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123406
(7-({Methanesulfonyl-[4-(pyrrolidine-1-carbonyl)-ph...)Show SMILES CS(=O)(=O)N(Cc1ccc2ccc(cc2c1)C(N)=N)c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H26N4O3S/c1-32(30,31)28(22-10-8-19(9-11-22)24(29)27-12-2-3-13-27)16-17-4-5-18-6-7-20(23(25)26)15-21(18)14-17/h4-11,14-15H,2-3,12-13,16H2,1H3,(H3,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123418
(7-[({4-[4-(1-Imino-ethyl)-piperazine-1-carbonyl]-p...)Show SMILES CC(=N)N1CCN(CC1)C(=O)c1ccc(cc1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C26H30N6O3S/c1-18(27)30-11-13-31(14-12-30)26(33)21-7-9-24(10-8-21)32(36(2,34)35)17-19-3-4-20-5-6-22(25(28)29)16-23(20)15-19/h3-10,15-16,27H,11-14,17H2,1-2H3,(H3,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Anionic trypsin-2
(Rattus norvegicus) | BDBM50123423
(3-{3-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-ph...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc(C)n(n1)-c1cccc(c1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C26H33N7O3S/c1-18-15-21(30-33(18)23-6-4-5-20(16-23)26(28)29)17-32(37(3,34)35)22-7-9-24(10-8-22)36-25-11-13-31(14-12-25)19(2)27/h4-10,15-16,25,27H,11-14,17H2,1-3H3,(H3,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123432
(3-(3-{[Methanesulfonyl-(2'-sulfamoyl-biphenyl-4-yl...)Show SMILES Cc1cc(CN(c2ccc(cc2)-c2ccccc2S(N)(=O)=O)S(C)(=O)=O)nn1-c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H26N6O4S2/c1-17-14-20(29-31(17)22-7-5-6-19(15-22)25(26)27)16-30(36(2,32)33)21-12-10-18(11-13-21)23-8-3-4-9-24(23)37(28,34)35/h3-15H,16H2,1-2H3,(H3,26,27)(H2,28,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123424
((S)-1-{4-[(7-Carbamimidoyl-naphthalen-2-ylmethyl)-...)Show SMILES CS(=O)(=O)N(Cc1ccc2ccc(cc2c1)C(N)=N)c1ccc(cc1)C(=O)N1CCC[C@H]1C(N)=O Show InChI InChI=1S/C25H27N5O4S/c1-35(33,34)30(15-16-4-5-17-6-7-19(23(26)27)14-20(17)13-16)21-10-8-18(9-11-21)25(32)29-12-2-3-22(29)24(28)31/h4-11,13-14,22H,2-3,12,15H2,1H3,(H3,26,27)(H2,28,31)/t22-/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 | 4.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123410
(3-{5-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-ph...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc(C)nn1-c1cccc(c1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C26H33N7O3S/c1-18-15-23(33(30-18)22-6-4-5-20(16-22)26(28)29)17-32(37(3,34)35)21-7-9-24(10-8-21)36-25-11-13-31(14-12-25)19(2)27/h4-10,15-16,25,27H,11-14,17H2,1-3H3,(H3,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50123411
(2'-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phen...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccccc1-c1cccc(c1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C28H33N5O3S/c1-20(29)32-16-14-26(15-17-32)36-25-12-10-24(11-13-25)33(37(2,34)35)19-23-6-3-4-9-27(23)21-7-5-8-22(18-21)28(30)31/h3-13,18,26,29H,14-17,19H2,1-2H3,(H3,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound to factor Xa |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50123427
(3'-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-oxo-...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3cccc(c3)-c3cccc(c3)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C29H31N5O3/c1-19(30)33-12-10-24(11-13-33)37-25-8-9-26-27(16-25)36-18-28(35)34(26)17-20-4-2-5-21(14-20)22-6-3-7-23(15-22)29(31)32/h2-9,14-16,24,30H,10-13,17-18H2,1H3,(H3,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of factor II |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50123421
(3-{5-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-ph...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc(no1)-c1cccc(c1)C(N)=N)S(C)(=O)=O Show InChI InChI=1S/C25H30N6O4S/c1-17(26)30-12-10-22(11-13-30)34-21-8-6-20(7-9-21)31(36(2,32)33)16-23-15-24(29-35-23)18-4-3-5-19(14-18)25(27)28/h3-9,14-15,22,26H,10-13,16H2,1-2H3,(H3,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of factor II |
Bioorg Med Chem Lett 13: 561-6 (2003)
BindingDB Entry DOI: 10.7270/Q2DB816X |
More data for this
Ligand-Target Pair | |
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