Found 4 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM304191' 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)) | BDBM304191
(2-(1-((4- carboxyphenyl)amino)-3-(3- hydroxy-3- me...)Show SMILES CC1(O)CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)C1 |$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-4.66,5.83,;-3.89,4.5,;-5.43,4.5,;-2.4,4.9,;-2,3.41,;-.67,2.64,;-.67,1.1,;.67,.33,;.67,-1.21,;2,1.1,;3.33,.33,;3.33,-1.21,;4.67,-1.98,;6,-1.21,;6,.33,;4.67,1.1,;7.34,-1.98,;7.34,-3.52,;8.67,-1.21,;-2,.33,;-3.33,1.1,;-4.67,.33,;-4.67,-1.21,;-3.33,-1.98,;-2,-1.21,;-.67,-1.98,;-6,-1.98,;-6,-3.52,;-4.67,-4.29,;-7.34,-4.29,;-7.34,-5.83,;-8.67,-3.52,;-8.67,-1.98,;-7.34,-1.21,;-7.34,.33,;-8.67,1.1,;-6,1.1,;-3.49,3.01,)| Show InChI InChI=1S/C27H24ClF3N2O5/c1-27(37)11-14(12-27)10-19(25(34)32-17-5-2-15(3-6-17)26(35)36)21-9-4-16(13-33(21)38)22-18(24(30)31)7-8-20(28)23(22)29/h2-9,13-14,19,24,37H,10-12H2,1H3,(H,32,34)(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine... |
US Patent US10143681 (2018)
BindingDB Entry DOI: 10.7270/Q2348NG3 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM304191
(2-(1-((4- carboxyphenyl)amino)-3-(3- hydroxy-3- me...)Show SMILES CC1(O)CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)C1 |$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-4.66,5.83,;-3.89,4.5,;-5.43,4.5,;-2.4,4.9,;-2,3.41,;-.67,2.64,;-.67,1.1,;.67,.33,;.67,-1.21,;2,1.1,;3.33,.33,;3.33,-1.21,;4.67,-1.98,;6,-1.21,;6,.33,;4.67,1.1,;7.34,-1.98,;7.34,-3.52,;8.67,-1.21,;-2,.33,;-3.33,1.1,;-4.67,.33,;-4.67,-1.21,;-3.33,-1.98,;-2,-1.21,;-.67,-1.98,;-6,-1.98,;-6,-3.52,;-4.67,-4.29,;-7.34,-4.29,;-7.34,-5.83,;-8.67,-3.52,;-8.67,-1.98,;-7.34,-1.21,;-7.34,.33,;-8.67,1.1,;-6,1.1,;-3.49,3.01,)| Show InChI InChI=1S/C27H24ClF3N2O5/c1-27(37)11-14(12-27)10-19(25(34)32-17-5-2-15(3-6-17)26(35)36)21-9-4-16(13-33(21)38)22-18(24(30)31)7-8-20(28)23(22)29/h2-9,13-14,19,24,37H,10-12H2,1H3,(H,32,34)(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine... |
US Patent US10143681 (2018)
BindingDB Entry DOI: 10.7270/Q2348NG3 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM304191
(2-(1-((4- carboxyphenyl)amino)-3-(3- hydroxy-3- me...)Show SMILES CC1(O)CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)C1 |$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-4.66,5.83,;-3.89,4.5,;-5.43,4.5,;-2.4,4.9,;-2,3.41,;-.67,2.64,;-.67,1.1,;.67,.33,;.67,-1.21,;2,1.1,;3.33,.33,;3.33,-1.21,;4.67,-1.98,;6,-1.21,;6,.33,;4.67,1.1,;7.34,-1.98,;7.34,-3.52,;8.67,-1.21,;-2,.33,;-3.33,1.1,;-4.67,.33,;-4.67,-1.21,;-3.33,-1.98,;-2,-1.21,;-.67,-1.98,;-6,-1.98,;-6,-3.52,;-4.67,-4.29,;-7.34,-4.29,;-7.34,-5.83,;-8.67,-3.52,;-8.67,-1.98,;-7.34,-1.21,;-7.34,.33,;-8.67,1.1,;-6,1.1,;-3.49,3.01,)| Show InChI InChI=1S/C27H24ClF3N2O5/c1-27(37)11-14(12-27)10-19(25(34)32-17-5-2-15(3-6-17)26(35)36)21-9-4-16(13-33(21)38)22-18(24(30)31)7-8-20(28)23(22)29/h2-9,13-14,19,24,37H,10-12H2,1H3,(H,32,34)(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine... |
US Patent US10143681 (2018)
BindingDB Entry DOI: 10.7270/Q2348NG3 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM304191
(2-(1-((4- carboxyphenyl)amino)-3-(3- hydroxy-3- me...)Show SMILES CC1(O)CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)F)C1 |$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-4.66,5.83,;-3.89,4.5,;-5.43,4.5,;-2.4,4.9,;-2,3.41,;-.67,2.64,;-.67,1.1,;.67,.33,;.67,-1.21,;2,1.1,;3.33,.33,;3.33,-1.21,;4.67,-1.98,;6,-1.21,;6,.33,;4.67,1.1,;7.34,-1.98,;7.34,-3.52,;8.67,-1.21,;-2,.33,;-3.33,1.1,;-4.67,.33,;-4.67,-1.21,;-3.33,-1.98,;-2,-1.21,;-.67,-1.98,;-6,-1.98,;-6,-3.52,;-4.67,-4.29,;-7.34,-4.29,;-7.34,-5.83,;-8.67,-3.52,;-8.67,-1.98,;-7.34,-1.21,;-7.34,.33,;-8.67,1.1,;-6,1.1,;-3.49,3.01,)| Show InChI InChI=1S/C27H24ClF3N2O5/c1-27(37)11-14(12-27)10-19(25(34)32-17-5-2-15(3-6-17)26(35)36)21-9-4-16(13-33(21)38)22-18(24(30)31)7-8-20(28)23(22)29/h2-9,13-14,19,24,37H,10-12H2,1H3,(H,32,34)(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 133 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine... |
US Patent US10143681 (2018)
BindingDB Entry DOI: 10.7270/Q2348NG3 |
More data for this
Ligand-Target Pair | |
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