Found 353 hits with Last Name = 'harpel' and Initial = 'm' 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 XI
(Homo sapiens (Human)) | BDBM50448581
(CHEMBL3127463)Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)C1CC(C)(c2ccccc2)c2cc(ccc2N1)C(N)=N Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448581
(CHEMBL3127463)Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)C1CC(C)(c2ccccc2)c2cc(ccc2N1)C(N)=N Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448585
(CHEMBL3127489)Show SMILES CCCC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)[C@@H]1C[C@](C)(c2ccccc2)c2cc(ccc2N1)C(N)=N |r| Show InChI InChI=1S/C35H35N5O4/c1-3-7-31(41)39-25-15-22(26-12-10-21(33(38)42)17-27(26)34(43)44)14-23(16-25)30-19-35(2,24-8-5-4-6-9-24)28-18-20(32(36)37)11-13-29(28)40-30/h4-6,8-18,30,40H,3,7,19H2,1-2H3,(H3,36,37)(H2,38,42)(H,39,41)(H,43,44)/t30-,35+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448583
(CHEMBL3127491)Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)[C@@H]1C[C@](C)(c2ccccc2)c2cc(ccc2N1)C(N)=N |r| Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)/t31-,36+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448588
(CHEMBL3127486)Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cc(N)cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H29N5O3/c1-31(21-5-3-2-4-6-21)16-27(36-26-10-8-17(28(33)34)15-25(26)31)20-11-19(12-22(32)13-20)23-9-7-18(29(35)37)14-24(23)30(38)39/h2-15,27,36H,16,32H2,1H3,(H3,33,34)(H2,35,37)(H,38,39)/t27-,31+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448586
(CHEMBL3127488)Show SMILES CCC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)[C@@H]1C[C@](C)(c2ccccc2)c2cc(ccc2N1)C(N)=N |r| Show InChI InChI=1S/C34H33N5O4/c1-3-30(40)38-24-14-21(25-11-9-20(32(37)41)16-26(25)33(42)43)13-22(15-24)29-18-34(2,23-7-5-4-6-8-23)27-17-19(31(35)36)10-12-28(27)39-29/h4-17,29,39H,3,18H2,1-2H3,(H3,35,36)(H2,37,41)(H,38,40)(H,42,43)/t29-,34+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448584
(CHEMBL3127490)Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cc(NC(=O)C2CC2)cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C35H33N5O4/c1-35(24-5-3-2-4-6-24)18-30(40-29-12-10-20(31(36)37)17-28(29)35)23-13-22(14-25(15-23)39-33(42)19-7-8-19)26-11-9-21(32(38)41)16-27(26)34(43)44/h2-6,9-17,19,30,40H,7-8,18H2,1H3,(H3,36,37)(H2,38,41)(H,39,42)(H,43,44)/t30-,35+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448587
(CHEMBL3127487)Show SMILES CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)[C@@H]1C[C@](C)(c2ccccc2)c2cc(ccc2N1)C(N)=N |r| Show InChI InChI=1S/C33H31N5O4/c1-18(39)37-24-13-21(25-10-8-20(31(36)40)15-26(25)32(41)42)12-22(14-24)29-17-33(2,23-6-4-3-5-7-23)27-16-19(30(34)35)9-11-28(27)38-29/h3-16,29,38H,17H2,1-2H3,(H3,34,35)(H2,36,40)(H,37,39)(H,41,42)/t29-,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440849
(CHEMBL2431588)Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H30N4O5S/c1-4-34-23-16-19(12-15-22(23)35-17(2)3)24(29-20-13-10-18(11-14-20)25(27)28)26(31)30-36(32,33)21-8-6-5-7-9-21/h5-17,24,29H,4H2,1-3H3,(H3,27,28)(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448602
(CHEMBL3127473)Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(cc1C(O)=O)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H28N4O3/c1-31(22-8-3-2-4-9-22)17-27(35-26-13-11-20(28(32)33)16-25(26)31)19-7-5-6-18(14-19)23-12-10-21(29(34)36)15-24(23)30(37)38/h2-16,27,35H,17H2,1H3,(H3,32,33)(H2,34,36)(H,37,38)/t27-,31+/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
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440822
(CHEMBL2431602)Show SMILES CCOc1cc(ccc1OC(C)C)[C@@H](Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C28H31N5O7S2/c1-4-39-25-15-19(8-11-24(25)40-17(2)3)26(32-20-9-10-23-18(14-20)12-13-31-27(23)29)28(34)33-42(37,38)22-7-5-6-21(16-22)41(30,35)36/h5-17,26,32H,4H2,1-3H3,(H2,29,31)(H,33,34)(H2,30,35,36)/t26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448605
(CHEMBL3127469)Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O |r| Show InChI InChI=1S/C30H25N3O4/c31-28(32)20-10-12-26-24(14-20)23(17-5-2-1-3-6-17)16-27(33-26)19-8-4-7-18(13-19)22-11-9-21(29(34)35)15-25(22)30(36)37/h1-15,23,27,33H,16H2,(H3,31,32)(H,34,35)(H,36,37)/t23-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440843
(CHEMBL2431614)Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1ccccc1S(=O)(=O)CC Show InChI InChI=1S/C30H33N3O7S2/c1-5-39-26-18-22(12-14-25(26)40-20(3)4)29(32-24-13-11-23-19-31-16-15-21(23)17-24)30(34)33-42(37,38)28-10-8-7-9-27(28)41(35,36)6-2/h7-20,29,32H,5-6H2,1-4H3,(H,33,34) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440846
(CHEMBL2431603)Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1ccc(O)cc1 Show InChI InChI=1S/C28H30N4O6S/c1-4-37-25-16-19(5-12-24(25)38-17(2)3)26(28(34)32-39(35,36)22-9-7-21(33)8-10-22)31-20-6-11-23-18(15-20)13-14-30-27(23)29/h5-17,26,31,33H,4H2,1-3H3,(H2,29,30)(H,32,34) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448589
(CHEMBL3127485)Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1cc(N)cc(c1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C29H26N4O2/c30-21-13-19(22-8-4-5-9-23(22)29(34)35)12-20(14-21)27-16-24(17-6-2-1-3-7-17)25-15-18(28(31)32)10-11-26(25)33-27/h1-15,24,27,33H,16,30H2,(H3,31,32)(H,34,35)/t24-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448608
(CHEMBL3127466)Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1ccccc1-c1ccc(cc1C(O)=O)C(O)=O |r| Show InChI InChI=1S/C30H25N3O4/c31-28(32)18-11-13-26-24(14-18)23(17-6-2-1-3-7-17)16-27(33-26)22-9-5-4-8-20(22)21-12-10-19(29(34)35)15-25(21)30(36)37/h1-15,23,27,33H,16H2,(H3,31,32)(H,34,35)(H,36,37)/t23-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440848
(CHEMBL2431604)Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C28H31N5O5S/c1-4-37-25-16-19(5-12-24(25)38-17(2)3)26(28(34)33-39(35,36)22-9-6-20(29)7-10-22)32-21-8-11-23-18(15-21)13-14-31-27(23)30/h5-17,26,32H,4,29H2,1-3H3,(H2,30,31)(H,33,34) | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440847
(CHEMBL2431595)Show SMILES CCOc1cc(ccc1OC(C)C)[C@@H](Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H30N4O5S/c1-4-36-25-17-20(10-13-24(25)37-18(2)3)26(28(33)32-38(34,35)22-8-6-5-7-9-22)31-21-11-12-23-19(16-21)14-15-30-27(23)29/h5-18,26,31H,4H2,1-3H3,(H2,29,30)(H,32,33)/t26-/m1/s1 | PDB
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| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440822
(CHEMBL2431602)Show SMILES CCOc1cc(ccc1OC(C)C)[C@@H](Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C28H31N5O7S2/c1-4-39-25-15-19(8-11-24(25)40-17(2)3)26(32-20-9-10-23-18(14-20)12-13-31-27(23)29)28(34)33-42(37,38)22-7-5-6-21(16-22)41(30,35)36/h5-17,26,32H,4H2,1-3H3,(H2,29,31)(H,33,34)(H2,30,35,36)/t26-/m1/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440845
(CHEMBL2431611)Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C29H31N3O7S2/c1-5-38-25-17-21(11-13-24(25)39-19(2)3)28(31-23-12-10-22-18-30-15-14-20(22)16-23)29(33)32-41(36,37)27-9-7-6-8-26(27)40(4,34)35/h6-19,28,31H,5H2,1-4H3,(H,32,33) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448601
(CHEMBL3127474)Show SMILES CNC(=O)Nc1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O |r| Show InChI InChI=1S/C32H31N5O3/c1-32(22-9-4-3-5-10-22)18-28(37-27-14-11-21(29(33)34)16-26(27)32)20-8-6-7-19(15-20)24-13-12-23(36-31(40)35-2)17-25(24)30(38)39/h3-17,28,37H,18H2,1-2H3,(H3,33,34)(H,38,39)(H2,35,36,40)/t28-,32+/m0/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440825
(CHEMBL2431589)Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H30N4O5S/c1-4-36-25-17-20(10-13-24(25)37-18(2)3)26(28(33)32-38(34,35)22-8-6-5-7-9-22)31-21-11-12-23-19(16-21)14-15-30-27(23)29/h5-18,26,31H,4H2,1-3H3,(H2,29,30)(H,32,33) | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440842
(CHEMBL2431609)Show SMILES CCOc1cc(ccc1OC(C)C)[C@@H](Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C28H30N4O7S2/c1-4-38-26-15-20(9-11-25(26)39-18(2)3)27(31-22-10-8-21-17-30-13-12-19(21)14-22)28(33)32-41(36,37)24-7-5-6-23(16-24)40(29,34)35/h5-18,27,31H,4H2,1-3H3,(H,32,33)(H2,29,34,35)/t27-/m1/s1 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440841
(CHEMBL2431598)Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)C(N)=O Show InChI InChI=1S/C29H31N5O6S/c1-4-39-25-16-19(8-11-24(25)40-17(2)3)26(33-21-9-10-23-18(14-21)12-13-32-27(23)30)29(36)34-41(37,38)22-7-5-6-20(15-22)28(31)35/h5-17,26,33H,4H2,1-3H3,(H2,30,32)(H2,31,35)(H,34,36) | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448606
(CHEMBL3127468)Show SMILES CC(C)CNC(=O)c1ccc(-c2cccc(c2)[C@@H]2C[C@H](c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O |r| Show InChI InChI=1S/C34H34N4O3/c1-20(2)19-37-33(39)25-11-13-26(29(17-25)34(40)41)22-9-6-10-23(15-22)31-18-27(21-7-4-3-5-8-21)28-16-24(32(35)36)12-14-30(28)38-31/h3-17,20,27,31,38H,18-19H2,1-2H3,(H3,35,36)(H,37,39)(H,40,41)/t27-,31+/m1/s1 | PDB
MMDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50448606
(CHEMBL3127468)Show SMILES CC(C)CNC(=O)c1ccc(-c2cccc(c2)[C@@H]2C[C@H](c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O |r| Show InChI InChI=1S/C34H34N4O3/c1-20(2)19-37-33(39)25-11-13-26(29(17-25)34(40)41)22-9-6-10-23(15-22)31-18-27(21-7-4-3-5-8-21)28-16-24(32(35)36)12-14-30(28)38-31/h3-17,20,27,31,38H,18-19H2,1-2H3,(H3,35,36)(H,37,39)(H,40,41)/t27-,31+/m1/s1 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448610
(CHEMBL3127464)Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1[C@@H]1C[C@H](c2ccccc2)c2cc(ccc2N1)C(N)=N |r| Show InChI InChI=1S/C34H34N4O3/c1-20(2)19-37-33(39)23-12-14-25(29(17-23)34(40)41)24-10-6-7-11-26(24)31-18-27(21-8-4-3-5-9-21)28-16-22(32(35)36)13-15-30(28)38-31/h3-17,20,27,31,38H,18-19H2,1-2H3,(H3,35,36)(H,37,39)(H,40,41)/t27-,31+/m1/s1 | PDB
MMDB
Reactome pathway
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448590
(CHEMBL3127484)Show SMILES C[C@@]1(C[C@@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(cc1C(O)=O)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H28N4O3/c1-31(22-8-3-2-4-9-22)17-27(35-26-13-11-20(28(32)33)16-25(26)31)19-7-5-6-18(14-19)23-12-10-21(29(34)36)15-24(23)30(37)38/h2-16,27,35H,17H2,1H3,(H3,32,33)(H2,34,36)(H,37,38)/t27-,31-/m1/s1 | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440823
(CHEMBL2431597)Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1cccc(O)c1 Show InChI InChI=1S/C28H30N4O6S/c1-4-37-25-15-19(8-11-24(25)38-17(2)3)26(28(34)32-39(35,36)22-7-5-6-21(33)16-22)31-20-9-10-23-18(14-20)12-13-30-27(23)29/h5-17,26,31,33H,4H2,1-3H3,(H2,29,30)(H,32,34) | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440840
(CHEMBL2431599)Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1cccc(CO)c1 Show InChI InChI=1S/C29H32N4O6S/c1-4-38-26-16-21(8-11-25(26)39-18(2)3)27(32-22-9-10-24-20(15-22)12-13-31-28(24)30)29(35)33-40(36,37)23-7-5-6-19(14-23)17-34/h5-16,18,27,32,34H,4,17H2,1-3H3,(H2,30,31)(H,33,35) | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440839
(CHEMBL2431608)Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C28H30N4O7S2/c1-4-38-26-15-20(9-11-25(26)39-18(2)3)27(31-22-10-8-21-17-30-13-12-19(21)14-22)28(33)32-41(36,37)24-7-5-6-23(16-24)40(29,34)35/h5-18,27,31H,4H2,1-3H3,(H,32,33)(H2,29,34,35) | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448600
(CHEMBL3124966)Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(NS(C)(=O)=O)cc1C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H30N4O4S/c1-31(22-9-4-3-5-10-22)18-28(34-27-14-11-21(29(32)33)16-26(27)31)20-8-6-7-19(15-20)24-13-12-23(35-40(2,38)39)17-25(24)30(36)37/h3-17,28,34-35H,18H2,1-2H3,(H3,32,33)(H,36,37)/t28-,31+/m0/s1 | PDB
MMDB
Reactome pathway
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440838
(CHEMBL2431606)Show SMILES CCOc1cc(ccc1OC(C)C)[C@@H](Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H29N3O5S/c1-4-35-26-17-21(11-13-25(26)36-19(2)3)27(28(32)31-37(33,34)24-8-6-5-7-9-24)30-23-12-10-22-18-29-15-14-20(22)16-23/h5-19,27,30H,4H2,1-3H3,(H,31,32)/t27-/m1/s1 | PDB
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PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440837
(CHEMBL2431600)Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1cccc(N)c1 Show InChI InChI=1S/C28H31N5O5S/c1-4-37-25-15-19(8-11-24(25)38-17(2)3)26(28(34)33-39(35,36)22-7-5-6-20(29)16-22)32-21-9-10-23-18(14-21)12-13-31-27(23)30/h5-17,26,32H,4,29H2,1-3H3,(H2,30,31)(H,33,34) | PDB
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PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448599
(CHEMBL3127475)Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(cc1C(O)=O)C#N)c1ccccc1 |r| Show InChI InChI=1S/C31H26N4O2/c1-31(23-8-3-2-4-9-23)17-28(35-27-13-11-22(29(33)34)16-26(27)31)21-7-5-6-20(15-21)24-12-10-19(18-32)14-25(24)30(36)37/h2-16,28,35H,17H2,1H3,(H3,33,34)(H,36,37)/t28-,31+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50448589
(CHEMBL3127485)Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1cc(N)cc(c1)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C29H26N4O2/c30-21-13-19(22-8-4-5-9-23(22)29(34)35)12-20(14-21)27-16-24(17-6-2-1-3-7-17)25-15-18(28(31)32)10-11-26(25)33-27/h1-15,24,27,33H,16,30H2,(H3,31,32)(H,34,35)/t24-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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PDB
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| Article
PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448580
(CHEMBL3127470)Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H27N3O4/c1-31(22-8-3-2-4-9-22)17-27(34-26-13-11-20(28(32)33)16-25(26)31)19-7-5-6-18(14-19)23-12-10-21(29(35)36)15-24(23)30(37)38/h2-16,27,34H,17H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,31+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448598
(CHEMBL3127476)Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccc(N)cc1C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C30H28N4O2/c1-30(21-8-3-2-4-9-21)17-27(34-26-13-10-20(28(32)33)15-25(26)30)19-7-5-6-18(14-19)23-12-11-22(31)16-24(23)29(35)36/h2-16,27,34H,17,31H2,1H3,(H3,32,33)(H,35,36)/t27-,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
Similars
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PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440824
(CHEMBL2431590)Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H29N3O5S/c1-4-35-26-17-21(11-13-25(26)36-19(2)3)27(28(32)31-37(33,34)24-8-6-5-7-9-24)30-23-12-10-22-18-29-15-14-20(22)16-23/h5-19,27,30H,4H2,1-3H3,(H,31,32) | PDB
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| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440836
(CHEMBL2431607)Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C28H30N4O7S2/c1-4-38-24-16-20(10-12-23(24)39-18(2)3)27(31-22-11-9-21-17-30-14-13-19(21)15-22)28(33)32-41(36,37)26-8-6-5-7-25(26)40(29,34)35/h5-18,27,31H,4H2,1-3H3,(H,32,33)(H2,29,34,35) | PDB
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PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50448581
(CHEMBL3127463)Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)C1CC(C)(c2ccccc2)c2cc(ccc2N1)C(N)=N Show InChI InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PDB
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| Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human activated protein C assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448597
(CHEMBL3127477)Show SMILES COC(=O)c1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O |r| Show InChI InChI=1S/C32H29N3O4/c1-32(23-9-4-3-5-10-23)18-28(35-27-14-12-21(29(33)34)17-26(27)32)20-8-6-7-19(15-20)24-13-11-22(31(38)39-2)16-25(24)30(36)37/h3-17,28,35H,18H2,1-2H3,(H3,33,34)(H,36,37)/t28-,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448596
(CHEMBL3127478)Show SMILES C[C@@]1(C[C@H](Nc2ccc(cc12)C(N)=N)c1cccc(c1)-c1ccccc1C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C30H27N3O2/c1-30(22-10-3-2-4-11-22)18-27(33-26-15-14-21(28(31)32)17-25(26)30)20-9-7-8-19(16-20)23-12-5-6-13-24(23)29(34)35/h2-17,27,33H,18H2,1H3,(H3,31,32)(H,34,35)/t27-,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448609
(CHEMBL3127465)Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1ccccc1-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C29H25N3O2/c30-28(31)19-14-15-26-25(16-19)24(18-8-2-1-3-9-18)17-27(32-26)22-12-6-4-10-20(22)21-11-5-7-13-23(21)29(33)34/h1-16,24,27,32H,17H2,(H3,30,31)(H,33,34)/t24-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448595
(CHEMBL3127479)Show SMILES CC(=O)Nc1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O |r| Show InChI InChI=1S/C32H30N4O3/c1-19(37)35-24-12-13-25(26(17-24)31(38)39)20-7-6-8-21(15-20)29-18-32(2,23-9-4-3-5-10-23)27-16-22(30(33)34)11-14-28(27)36-29/h3-17,29,36H,18H2,1-2H3,(H3,33,34)(H,35,37)(H,38,39)/t29-,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50448605
(CHEMBL3127469)Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O |r| Show InChI InChI=1S/C30H25N3O4/c31-28(32)20-10-12-26-24(14-20)23(17-5-2-1-3-6-17)16-27(33-26)19-8-4-7-18(13-19)22-11-9-21(29(34)35)15-25(22)30(36)37/h1-15,23,27,33H,16H2,(H3,31,32)(H,34,35)(H,36,37)/t23-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440835
(CHEMBL2431612)Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C29H31N3O7S2/c1-5-38-27-16-21(10-12-26(27)39-19(2)3)28(31-23-11-9-22-18-30-14-13-20(22)15-23)29(33)32-41(36,37)25-8-6-7-24(17-25)40(4,34)35/h6-19,28,31H,5H2,1-4H3,(H,32,33) | PDB
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 145 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448594
(CHEMBL3127480)Show SMILES CNC(=O)c1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O |r| Show InChI InChI=1S/C32H30N4O3/c1-32(23-9-4-3-5-10-23)18-28(36-27-14-12-21(29(33)34)17-26(27)32)20-8-6-7-19(15-20)24-13-11-22(30(37)35-2)16-25(24)31(38)39/h3-17,28,36H,18H2,1-2H3,(H3,33,34)(H,35,37)(H,38,39)/t28-,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 154 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
Coagulation factor VII/Tissue factor
(Homo sapiens (Human)) | BDBM50440826
(CHEMBL2431605)Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C29H32N4O5S/c1-5-37-26-17-21(8-13-25(26)38-18(2)3)27(29(34)33-39(35,36)23-10-6-19(4)7-11-23)32-22-9-12-24-20(16-22)14-15-31-28(24)30/h6-18,27,32H,5H2,1-4H3,(H2,30,31)(H,33,34) | PDB
KEGG
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antibodypedia
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 197 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50448593
(CHEMBL3127481)Show SMILES CC(C)NC(=O)c1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O |r| Show InChI InChI=1S/C34H34N4O3/c1-20(2)37-32(39)24-12-14-26(27(17-24)33(40)41)21-8-7-9-22(16-21)30-19-34(3,25-10-5-4-6-11-25)28-18-23(31(35)36)13-15-29(28)38-30/h4-18,20,30,38H,19H2,1-3H3,(H3,35,36)(H,37,39)(H,40,41)/t30-,34+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 207 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis |
J Med Chem 57: 955-69 (2014)
Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ |
More data for this
Ligand-Target Pair | |
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