Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM304183' 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)) | BDBM304183
(2-(1-((4- carboxyphenyl)amino)-3-(3- methylcyclobu...)Show SMILES CC1CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)C1 |$;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-5.22,5.55,;-3.89,4.78,;-2.4,5.18,;-2,3.69,;-.67,2.92,;-.67,1.38,;.67,.61,;.67,-.93,;2,1.38,;3.33,.61,;3.33,-.93,;4.67,-1.7,;6,-.93,;6,.61,;4.67,1.38,;7.34,-1.7,;7.34,-3.24,;8.67,-.93,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-3.33,-1.7,;-2,-.93,;-.67,-1.7,;-6,-1.7,;-6,-3.24,;-4.67,-4.01,;-7.34,-4.01,;-7.34,-5.55,;-8.67,-3.24,;-8.67,-1.7,;-7.34,-.93,;-7.34,.61,;-7.34,2.15,;-8.67,1.38,;-6,1.38,;-3.49,3.29,)| Show InChI InChI=1S/C27H23ClF4N2O4/c1-14-10-15(11-14)12-19(25(35)33-18-5-2-16(3-6-18)26(36)37)22-9-4-17(13-34(22)38)23-20(27(30,31)32)7-8-21(28)24(23)29/h2-9,13-15,19H,10-12H2,1H3,(H,33,35)(H,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.30 | 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)) | BDBM304183
(2-(1-((4- carboxyphenyl)amino)-3-(3- methylcyclobu...)Show SMILES CC1CC(CC(C(=O)Nc2ccc(cc2)C(O)=O)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2C(F)(F)F)C1 |$;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(-5.22,5.55,;-3.89,4.78,;-2.4,5.18,;-2,3.69,;-.67,2.92,;-.67,1.38,;.67,.61,;.67,-.93,;2,1.38,;3.33,.61,;3.33,-.93,;4.67,-1.7,;6,-.93,;6,.61,;4.67,1.38,;7.34,-1.7,;7.34,-3.24,;8.67,-.93,;-2,.61,;-3.33,1.38,;-4.67,.61,;-4.67,-.93,;-3.33,-1.7,;-2,-.93,;-.67,-1.7,;-6,-1.7,;-6,-3.24,;-4.67,-4.01,;-7.34,-4.01,;-7.34,-5.55,;-8.67,-3.24,;-8.67,-1.7,;-7.34,-.93,;-7.34,.61,;-7.34,2.15,;-8.67,1.38,;-6,1.38,;-3.49,3.29,)| Show InChI InChI=1S/C27H23ClF4N2O4/c1-14-10-15(11-14)12-19(25(35)33-18-5-2-16(3-6-18)26(36)37)22-9-4-17(13-34(22)38)23-20(27(30,31)32)7-8-21(28)24(23)29/h2-9,13-15,19H,10-12H2,1H3,(H,33,35)(H,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.30 | 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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