Found 4 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM142864' 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)) | BDBM142864
(US10487086, Example 90 | US11136327, Example 90 | ...)Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\C[C@H](NC(=O)[C@H]3CC[C@H](CN)CC3)c3cc-2ccn3)c1 |r,wU:22.21,18.18,wD:25.25,t:15,(11.34,.5,;10,1.27,;8.67,.5,;8.67,-1.04,;7.34,1.27,;6,.5,;6,-1.04,;4.67,-1.81,;3.33,-1.04,;3.33,.5,;2,1.27,;2,2.81,;3.45,3.34,;.91,3.9,;-.62,4.12,;-1.71,3.03,;-1.31,1.54,;-2.4,.45,;-2,-1.04,;-3.33,-1.81,;-4.67,-1.04,;-4.67,.5,;-6,-1.81,;-6,-3.35,;-7.34,-4.12,;-8.67,-3.35,;-10,-4.12,;-11.34,-3.35,;-8.67,-1.81,;-7.34,-1.04,;-.67,-1.81,;.67,-1.04,;2,-1.81,;2,-3.35,;.67,-4.12,;-.67,-3.35,;4.67,1.27,)| Show InChI InChI=1S/C28H35N5O4/c1-37-28(36)31-21-11-12-22-20-13-14-30-25(15-20)23(5-3-2-4-6-26(34)32-24(22)16-21)33-27(35)19-9-7-18(17-29)8-10-19/h2-3,11-16,18-19,23H,4-10,17,29H2,1H3,(H,31,36)(H,32,34)(H,33,35)/b3-2+/t18-,19-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| <5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm... |
US Patent US8940720 (2015)
BindingDB Entry DOI: 10.7270/Q2BK1B20 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM142864
(US10487086, Example 90 | US11136327, Example 90 | ...)Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\C[C@H](NC(=O)[C@H]3CC[C@H](CN)CC3)c3cc-2ccn3)c1 |r,wU:22.21,18.18,wD:25.25,t:15,(11.34,.5,;10,1.27,;8.67,.5,;8.67,-1.04,;7.34,1.27,;6,.5,;6,-1.04,;4.67,-1.81,;3.33,-1.04,;3.33,.5,;2,1.27,;2,2.81,;3.45,3.34,;.91,3.9,;-.62,4.12,;-1.71,3.03,;-1.31,1.54,;-2.4,.45,;-2,-1.04,;-3.33,-1.81,;-4.67,-1.04,;-4.67,.5,;-6,-1.81,;-6,-3.35,;-7.34,-4.12,;-8.67,-3.35,;-10,-4.12,;-11.34,-3.35,;-8.67,-1.81,;-7.34,-1.04,;-.67,-1.81,;.67,-1.04,;2,-1.81,;2,-3.35,;.67,-4.12,;-.67,-3.35,;4.67,1.27,)| Show InChI InChI=1S/C28H35N5O4/c1-37-28(36)31-21-11-12-22-20-13-14-30-25(15-20)23(5-3-2-4-6-26(34)32-24(22)16-21)33-27(35)19-9-7-18(17-29)8-10-19/h2-3,11-16,18-19,23H,4-10,17,29H2,1H3,(H,31,36)(H,32,34)(H,33,35)/b3-2+/t18-,19-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| <5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MS3WX4 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM142864
(US10487086, Example 90 | US11136327, Example 90 | ...)Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\C[C@H](NC(=O)[C@H]3CC[C@H](CN)CC3)c3cc-2ccn3)c1 |r,wU:22.21,18.18,wD:25.25,t:15,(11.34,.5,;10,1.27,;8.67,.5,;8.67,-1.04,;7.34,1.27,;6,.5,;6,-1.04,;4.67,-1.81,;3.33,-1.04,;3.33,.5,;2,1.27,;2,2.81,;3.45,3.34,;.91,3.9,;-.62,4.12,;-1.71,3.03,;-1.31,1.54,;-2.4,.45,;-2,-1.04,;-3.33,-1.81,;-4.67,-1.04,;-4.67,.5,;-6,-1.81,;-6,-3.35,;-7.34,-4.12,;-8.67,-3.35,;-10,-4.12,;-11.34,-3.35,;-8.67,-1.81,;-7.34,-1.04,;-.67,-1.81,;.67,-1.04,;2,-1.81,;2,-3.35,;.67,-4.12,;-.67,-3.35,;4.67,1.27,)| Show InChI InChI=1S/C28H35N5O4/c1-37-28(36)31-21-11-12-22-20-13-14-30-25(15-20)23(5-3-2-4-6-26(34)32-24(22)16-21)33-27(35)19-9-7-18(17-29)8-10-19/h2-3,11-16,18-19,23H,4-10,17,29H2,1H3,(H,31,36)(H,32,34)(H,33,35)/b3-2+/t18-,19-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| <5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm... |
US Patent US10487086 (2019)
BindingDB Entry DOI: 10.7270/Q2JD5069 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM142864
(US10487086, Example 90 | US11136327, Example 90 | ...)Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\C[C@H](NC(=O)[C@H]3CC[C@H](CN)CC3)c3cc-2ccn3)c1 |r,wU:22.21,18.18,wD:25.25,t:15,(11.34,.5,;10,1.27,;8.67,.5,;8.67,-1.04,;7.34,1.27,;6,.5,;6,-1.04,;4.67,-1.81,;3.33,-1.04,;3.33,.5,;2,1.27,;2,2.81,;3.45,3.34,;.91,3.9,;-.62,4.12,;-1.71,3.03,;-1.31,1.54,;-2.4,.45,;-2,-1.04,;-3.33,-1.81,;-4.67,-1.04,;-4.67,.5,;-6,-1.81,;-6,-3.35,;-7.34,-4.12,;-8.67,-3.35,;-10,-4.12,;-11.34,-3.35,;-8.67,-1.81,;-7.34,-1.04,;-.67,-1.81,;.67,-1.04,;2,-1.81,;2,-3.35,;.67,-4.12,;-.67,-3.35,;4.67,1.27,)| Show InChI InChI=1S/C28H35N5O4/c1-37-28(36)31-21-11-12-22-20-13-14-30-25(15-20)23(5-3-2-4-6-26(34)32-24(22)16-21)33-27(35)19-9-7-18(17-29)8-10-19/h2-3,11-16,18-19,23H,4-10,17,29H2,1H3,(H,31,36)(H,32,34)(H,33,35)/b3-2+/t18-,19-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| <5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake... |
US Patent US9802939 (2017)
BindingDB Entry DOI: 10.7270/Q2X63Q37 |
More data for this
Ligand-Target Pair | |
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