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Compile Data Set for Download or QSAR

Found 744 hits with Last Name = 'zang' and Initial = 'y'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))
BDBM285852
PNG
(5-(2-{3-[5-chloro-2- (1H-tetrazol-1- yl)phenyl]-1-...)
Show SMILES OC(=O)c1ccc(s1)-c1cnc([nH]1)C1CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1
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3.08n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123235
PNG
(US8742110, 3-20)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(C(O)=O)c(OC)c3)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O7/c1-4-40-27-16-21(17-28(41-5-2)29(27)22-6-8-23(33)9-7-22)19-34-14-12-32(13-15-34)20-35(31(38)42-32)24-10-11-25(30(36)37)26(18-24)39-3/h6-11,16-18H,4-5,12-15,19-20H2,1-3H3,(H,36,37)
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n/an/a 0.129n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123247
PNG
(US8742110, 4-11)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(cc1C)-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C30H29F3N2O5/c1-3-39-27-13-20(22(12-18(27)2)23-14-25(32)26(33)15-24(23)31)16-34-10-8-30(9-11-34)17-35(29(38)40-30)21-6-4-19(5-7-21)28(36)37/h4-7,12-15H,3,8-11,16-17H2,1-2H3,(H,36,37)
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n/an/a 0.152n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123253
PNG
(US8742110, 4-17)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(OC(F)(F)F)ccc3-c3ccc(F)c(F)c3F)CC2)OC1=O
Show InChI InChI=1S/C28H22F6N2O5/c29-22-8-7-21(23(30)24(22)31)20-6-5-19(40-28(32,33)34)13-17(20)14-35-11-9-27(10-12-35)15-36(26(39)41-27)18-3-1-16(2-4-18)25(37)38/h1-8,13H,9-12,14-15H2,(H,37,38)
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n/an/a 0.165n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285900
PNG
(7-(5-(5-carboxythiophen-3-yl)-4-chloro-1H-imidazol...)
Show SMILES COC(=O)c1cc(cs1)-c1[nH]c(nc1Cl)C1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1NC(=O)OC(C)(C)C
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n/an/a 0.170n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123270
PNG
(US8742110, 5-6)
Show SMILES COc1cccc2c(OC)cc(CN3CCC4(CN(C(=O)O4)c4ccc(cc4)C(O)=O)CC3)cc12
Show InChI InChI=1S/C27H28N2O6/c1-33-23-5-3-4-21-22(23)14-18(15-24(21)34-2)16-28-12-10-27(11-13-28)17-29(26(32)35-27)20-8-6-19(7-9-20)25(30)31/h3-9,14-15H,10-13,16-17H2,1-2H3,(H,30,31)
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n/an/a 0.172n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123248
PNG
(US8742110, 4-12)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(C(O)=O)c(C)c3)CC2)c(cc1C)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C31H31F3N2O5/c1-4-40-26-15-20(24(14-19(26)3)23-7-8-25(32)28(34)27(23)33)16-35-11-9-31(10-12-35)17-36(30(39)41-31)21-5-6-22(29(37)38)18(2)13-21/h5-8,13-15H,4,9-12,16-17H2,1-3H3,(H,37,38)
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n/an/a 0.188n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285973
PNG
((7S)-7-[5-(4-aminophenyl)-4- chloro-1H-imidazol-2-...)
Show SMILES Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@]1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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n/an/a 0.207n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123300
PNG
(US8742110, 6-18)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(OCc3ccccc3)cccc12
Show InChI InChI=1S/C33H35N3O5/c1-23(2)35-20-26(30-28(35)9-6-10-29(30)40-21-24-7-4-3-5-8-24)19-34-17-15-33(16-18-34)22-36(32(39)41-33)27-13-11-25(12-14-27)31(37)38/h3-14,20,23H,15-19,21-22H2,1-2H3,(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123254
PNG
(US8742110, 4-18)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(C(O)=O)c(OC)c3)CC2)c(cc1C)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C31H31F3N2O6/c1-4-41-25-14-19(23(13-18(25)2)21-7-8-24(32)28(34)27(21)33)16-35-11-9-31(10-12-35)17-36(30(39)42-31)20-5-6-22(29(37)38)26(15-20)40-3/h5-8,13-15H,4,9-12,16-17H2,1-3H3,(H,37,38)
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n/an/a 0.228n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123271
PNG
(US8742110, 5-7)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc2c(OC)ccc(Cl)c12
Show InChI InChI=1S/C28H29ClN2O6/c1-3-36-24-15-18(14-21-23(35-2)9-8-22(29)25(21)24)16-30-12-10-28(11-13-30)17-31(27(34)37-28)20-6-4-19(5-7-20)26(32)33/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H,32,33)
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n/an/a 0.233n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123255
PNG
(US8742110, 4-19)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc4CCCc4cc3-c3cc(F)c(F)cc3F)CC2)OC1=O
Show InChI InChI=1S/C30H27F3N2O4/c31-25-15-27(33)26(32)14-24(25)23-13-20-3-1-2-19(20)12-21(23)16-34-10-8-30(9-11-34)17-35(29(38)39-30)22-6-4-18(5-7-22)28(36)37/h4-7,12-15H,1-3,8-11,16-17H2,(H,36,37)
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n/an/a 0.243n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123296
PNG
(US8742110, 6-14)
Show SMILES CC(C)n1nc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C32H34N4O5/c1-22(2)36-29-13-12-26(40-20-23-6-4-3-5-7-23)18-27(29)28(33-36)19-34-16-14-32(15-17-34)21-35(31(39)41-32)25-10-8-24(9-11-25)30(37)38/h3-13,18,22H,14-17,19-21H2,1-2H3,(H,37,38)
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n/an/a 0.260n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123252
PNG
(US8742110, 4-16)
Show SMILES CC(C)Oc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c1)-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C30H29F3N2O5/c1-18(2)39-22-7-8-23(24-14-26(32)27(33)15-25(24)31)20(13-22)16-34-11-9-30(10-12-34)17-35(29(38)40-30)21-5-3-19(4-6-21)28(36)37/h3-8,13-15,18H,9-12,16-17H2,1-2H3,(H,36,37)
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n/an/a 0.272n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285883
PNG
((S)-methyl [4-(2-{3-[5- chloro-2-(1H-tetrazol-1- y...)
Show SMILES COC(=O)Nc1ccc(-c2cnc([nH]2)[C@]2(O)CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cnnn2)c(F)c1 |r|
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n/an/a 0.280n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123277
PNG
(US8742110, 5-13)
Show SMILES Cc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc2c1OCCC2(C)C
Show InChI InChI=1S/C27H32N2O5/c1-18-14-19(15-22-23(18)33-13-10-26(22,2)3)16-28-11-8-27(9-12-28)17-29(25(32)34-27)21-6-4-20(5-7-21)24(30)31/h4-7,14-15H,8-13,16-17H2,1-3H3,(H,30,31)
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n/an/a 0.317n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285860
PNG
(US10081617, Example 9)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@@]1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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n/an/a 0.320n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123227
PNG
(US8742110, 3-12)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)-c3nnn[nH]3)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H33FN6O4/c1-3-40-26-17-21(18-27(41-4-2)28(26)22-5-9-24(32)10-6-22)19-37-15-13-31(14-16-37)20-38(30(39)42-31)25-11-7-23(8-12-25)29-33-35-36-34-29/h5-12,17-18H,3-4,13-16,19-20H2,1-2H3,(H,33,34,35,36)
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n/an/a 0.323n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285898
PNG
(7-(5-(5-carboxythiophen-2-yl)-4-chloro-1H-imidazol...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C1=CC2=C([N]([O-])=C1)C(O)(CC2)c1nc(Cl)c([nH]1)-c1ccc(s1)C(=O)OC(C)(C)C |c:18,21,t:16|
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n/an/a 0.330n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285959
PNG
(US10081617, Example 106 | US10081617, Example 107 ...)
Show SMILES COC(=O)Nc1ccc(-c2cnc([nH]2)C2(O)CCc3cc(c[n+]([O-])c23)-c2c(F)c(Cl)ccc2-n2cnnn2)c(Cl)c1
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n/an/a 0.340n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285953
PNG
(4-(2-{3-[5-chloro-2-(1H- tetrazol-1-yl)phenyl]-7- ...)
Show SMILES OC(=O)c1scc(c1F)-c1[nH]c(nc1F)C1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123306
PNG
(US8742110, 6-24)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2cc(ccc12)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C32H30F3N3O4/c1-19(2)37-17-22(25-15-21(5-10-27(25)37)24-8-9-26(33)29(35)28(24)34)16-36-13-11-32(12-14-36)18-38(31(41)42-32)23-6-3-20(4-7-23)30(39)40/h3-10,15,17,19H,11-14,16,18H2,1-2H3,(H,39,40)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123234
PNG
(US8742110, 3-19)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3Cl)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H32ClFN2O6/c1-3-39-26-15-20(16-27(40-4-2)28(26)21-5-8-23(33)9-6-21)18-34-13-11-31(12-14-34)19-35(30(38)41-31)25-10-7-22(29(36)37)17-24(25)32/h5-10,15-17H,3-4,11-14,18-19H2,1-2H3,(H,36,37)
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n/an/a 0.359n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285890
PNG
(2-methoxyethyl [4-(2-{3- [5-chloro-2-(1H-tetrazol-...)
Show SMILES COCCOC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285853
PNG
(Methyl [4-(2-{3-[5-chloro-2-(1H-tetrazol-1-yl)phen...)
Show SMILES C[Si](C)(C)CCOCCl.OC(=O)C1CCc2cc(Br)cnc12.COC(=O)Nc1ccc(cc1)C(=O)CCl.CC1(C)OB(OC1(C)C)c1cc(Cl)ccc1N.COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C1CCc2cc(Br)cnc12.COC(=O)Nc1ccc(cc1)C(=O)COC(=O)C1CCc2cc(Br)cnc12.COC(=O)Nc1ccc(cc1)-c1cnc(C2CCc3cc(Br)cnc23)n1COCC[Si](C)(C)C.COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C1CCc2cc(cnc12)-c1cc(Cl)ccc1-n1cnnn1.COC(=O)Nc1ccc(cc1)-c1cnc(C2CCc3cc(cnc23)-c2cc(Cl)ccc2N)n1COCC[Si](C)(C)C.COC(=O)Nc1ccc(cc1)-c1cnc(C2CCc3cc(cnc23)-c2cc(Cl)ccc2-n2cnnn2)n1COCC[Si](C)(C)C.COC(=O)Nc1ccc(cc1)-c1cnc(C2CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cnnn2)n1COCC[Si](C)(C)C |$;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123264
PNG
(US8742110, 4-28)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(cc1C)-n1cc(C)cn1
Show InChI InChI=1S/C28H32N4O5/c1-4-36-25-14-22(24(13-20(25)3)32-16-19(2)15-29-32)17-30-11-9-28(10-12-30)18-31(27(35)37-28)23-7-5-21(6-8-23)26(33)34/h5-8,13-16H,4,9-12,17-18H2,1-3H3,(H,33,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123257
PNG
(US8742110, 4-21)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3F)C(O)=O)CC2)c(cc1C)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C30H28F4N2O5/c1-3-40-25-14-19(21(12-17(25)2)20-5-6-22(31)27(34)26(20)33)15-35-10-8-30(9-11-35)16-36(29(39)41-30)24-7-4-18(28(37)38)13-23(24)32/h4-7,12-14H,3,8-11,15-16H2,1-2H3,(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123250
PNG
(US8742110, 4-14)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(cc1C)-c1ccc(F)nc1
Show InChI InChI=1S/C29H30FN3O5/c1-3-37-25-15-22(24(14-19(25)2)21-6-9-26(30)31-16-21)17-32-12-10-29(11-13-32)18-33(28(36)38-29)23-7-4-20(5-8-23)27(34)35/h4-9,14-16H,3,10-13,17-18H2,1-2H3,(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123243
PNG
(US8742110, 4-7)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(cc1C)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C30H29F3N2O5/c1-3-39-25-15-20(23(14-18(25)2)22-8-9-24(31)27(33)26(22)32)16-34-12-10-30(11-13-34)17-35(29(38)40-30)21-6-4-19(5-7-21)28(36)37/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123179
PNG
(US8742110, 1-28)
Show SMILES CC(C)(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C28H30ClFN4O4/c1-27(2,3)34-16-20(24(31-34)19-6-9-23(30)22(29)14-19)15-32-12-10-28(11-13-32)17-33(26(37)38-28)21-7-4-18(5-8-21)25(35)36/h4-9,14,16H,10-13,15,17H2,1-3H3,(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123272
PNG
(US8742110, 5-8)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc2cnc(cc12)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O5/c1-2-37-22-12-17(11-19-14-31-23(13-21(19)22)27(28,29)30)15-32-9-7-26(8-10-32)16-33(25(36)38-26)20-5-3-18(4-6-20)24(34)35/h3-6,11-14H,2,7-10,15-16H2,1H3,(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123236
PNG
(US8742110, 3-21)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3F)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H32F2N2O6/c1-3-39-26-15-20(16-27(40-4-2)28(26)21-5-8-23(32)9-6-21)18-34-13-11-31(12-14-34)19-35(30(38)41-31)25-10-7-22(29(36)37)17-24(25)33/h5-10,15-17H,3-4,11-14,18-19H2,1-2H3,(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123245
PNG
(US8742110, 4-9)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(ccc3-c3ccc(F)c(F)c3F)C(F)(F)F)CC2)OC1=O
Show InChI InChI=1S/C28H22F6N2O4/c29-22-8-7-21(23(30)24(22)31)20-6-3-18(28(32,33)34)13-17(20)14-35-11-9-27(10-12-35)15-36(26(39)40-27)19-4-1-16(2-5-19)25(37)38/h1-8,13H,9-12,14-15H2,(H,37,38)
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n/an/a 0.439n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285902
PNG
(7-(4-(5-carboxy-4-fluorothiophene-3-yl)-1H-imidazo...)
Show SMILES COC(=O)c1scc(C(=O)COC(=O)C2(O)CCC3=C2[N]([O-])=CC(=C3)c2cc(Cl)ccc2NC(=O)OC(C)(C)C)c1F |c:18,22,24|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123258
PNG
(US8742110, 4-22)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3Cl)C(O)=O)CC2)c(cc1C)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C30H28ClF3N2O5/c1-3-40-25-14-19(21(12-17(25)2)20-5-6-23(32)27(34)26(20)33)15-35-10-8-30(9-11-35)16-36(29(39)41-30)24-7-4-18(28(37)38)13-22(24)31/h4-7,12-14H,3,8-11,15-16H2,1-2H3,(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123244
PNG
(US8742110, 4-8)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3C)C(O)=O)CC2)c(cc1C)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C31H31F3N2O5/c1-4-40-26-15-21(23(14-19(26)3)22-6-7-24(32)28(34)27(22)33)16-35-11-9-31(10-12-35)17-36(30(39)41-31)25-8-5-20(29(37)38)13-18(25)2/h5-8,13-15H,4,9-12,16-17H2,1-3H3,(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123239
PNG
(US8742110, 4-3)
Show SMILES CCOc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c1)-c1ccc(F)cc1F
Show InChI InChI=1S/C29H28F2N2O5/c1-2-37-23-8-10-24(25-9-5-21(30)16-26(25)31)20(15-23)17-32-13-11-29(12-14-32)18-33(28(36)38-29)22-6-3-19(4-7-22)27(34)35/h3-10,15-16H,2,11-14,17-18H2,1H3,(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285894
PNG
(7-[5-(6-amino-2- chloropyridin-3-yl)-1H- imidazol-...)
Show SMILES Nc1ccc(-c2cnc([nH]2)C2(O)CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cnnn2)c(Cl)n1
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123240
PNG
(US8742110, 4-4)
Show SMILES CCOc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C29H28F2N2O5/c1-2-37-23-8-9-24(20-5-10-25(30)26(31)16-20)21(15-23)17-32-13-11-29(12-14-32)18-33(28(36)38-29)22-6-3-19(4-7-22)27(34)35/h3-10,15-16H,2,11-14,17-18H2,1H3,(H,34,35)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285870
PNG
(US10081617, Example 18)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@]1(O)C[C@@H](O)c2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285867
PNG
(US10081617, Example 16)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@]1(O)C[C@H](O)c2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285873
PNG
((S)-3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-7-hydr...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@]1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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MMDB

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n/an/a 0.520n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123242
PNG
(US8742110, 4-6)
Show SMILES CC(C)Oc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c1)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C30H29F3N2O5/c1-18(2)39-22-7-8-23(24-9-10-25(31)27(33)26(24)32)20(15-22)16-34-13-11-30(12-14-34)17-35(29(38)40-30)21-5-3-19(4-6-21)28(36)37/h3-10,15,18H,11-14,16-17H2,1-2H3,(H,36,37)
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n/an/a 0.546n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123307
PNG
(US8742110, 6-25)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2cc(Br)ccc12
Show InChI InChI=1S/C26H28BrN3O4/c1-17(2)29-15-19(22-13-20(27)5-8-23(22)29)14-28-11-9-26(10-12-28)16-30(25(33)34-26)21-6-3-18(4-7-21)24(31)32/h3-8,13,15,17H,9-12,14,16H2,1-2H3,(H,31,32)
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n/an/a 0.550n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123241
PNG
(US8742110, 4-5)
Show SMILES CCOc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c1)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C29H27F3N2O5/c1-2-38-21-7-8-22(23-9-10-24(30)26(32)25(23)31)19(15-21)16-33-13-11-29(12-14-33)17-34(28(37)39-29)20-5-3-18(4-6-20)27(35)36/h3-10,15H,2,11-14,16-17H2,1H3,(H,35,36)
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n/an/a 0.556n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285881
PNG
(US10081617, Example 29 | US10081617, Example 30 | ...)
Show SMILES COC(=O)Nc1ccc(-c2cnc([nH]2)C2(O)CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cnnn2)c(Cl)c1
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n/an/a 0.560n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285884
PNG
(US10081617, Example 32 | US10081617, Example 33 | ...)
Show SMILES COC(=O)Nc1ccc(-c2cnc([nH]2)C2(O)CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cnnn2)c(C)c1
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n/an/a 0.560n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123180
PNG
(US8742110, 1-29)
Show SMILES CC(C)(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)-c3nnn[nH]3)CC2)c(n1)-c1cc(F)c(Cl)cc1F
Show InChI InChI=1S/C28H29ClF2N8O2/c1-27(2,3)39-15-18(24(34-39)20-12-23(31)21(29)13-22(20)30)14-37-10-8-28(9-11-37)16-38(26(40)41-28)19-6-4-17(5-7-19)25-32-35-36-33-25/h4-7,12-13,15H,8-11,14,16H2,1-3H3,(H,32,33,35,36)
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n/an/a 0.582n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285974
PNG
(US10081617, Example 121 | methyl [4-(2-{(7S)-3-[5-...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@]1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
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n/an/a 0.600n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM285969
PNG
(US10081617, Example 116 | US10081617, Example 117 ...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)C1(O)CCc2c1[n+]([O-])cc(c2OC)-c1cc(Cl)ccc1C#N
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair
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