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Compile Data Set for Download or QSAR

Found 296 hits with Last Name = 'kevin' and Initial = 'n'   
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))
BDBM289804
PNG
(Methyl (4-(((S)-1-((R)-6-chloro-5-fluoro-2-oxo-1,2...)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)NC(CC1(CC1)OC)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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0.600 -52.6n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289851
PNG
(2-(5-(((S)-1-((R)-6-chloro-5-fluoro-2-oxo-1,2-dihy...)
Show SMILES OC(=O)C(=O)c1sc(cc1F)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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0.700 -52.3n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289807
PNG
(US10093683, Example 118A | US10093683, Example 118...)
Show SMILES CO[C@@H](C)C[C@H](NC(=O)c1ccc(NC(=O)OC)cc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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0.720 -52.2n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50174298
PNG
(3-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicy...)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H23F4N5O/c1-35-21(18-4-2-3-5-19(18)26(28,29)30)32-33-22(35)24-10-13-25(14-11-24,15-12-24)23-31-20(34-36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Bioorg Med Chem Lett 23: 3650-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.011
BindingDB Entry DOI: 10.7270/Q29S1SDM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289844
PNG
(3-amino-N—((S)-1-(R)-6-chloro-2-oxo-1,2-dihyd...)
Show SMILES Nc1noc2cc(ccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r|
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2.30 -49.3n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289807
PNG
(US10093683, Example 118A | US10093683, Example 118...)
Show SMILES CO[C@@H](C)C[C@H](NC(=O)c1ccc(NC(=O)OC)cc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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2.52 -49.1n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289795
PNG
(Methyl 2-amino-3-(5-fluoropyridin-2-yl)propanoate ...)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)NC(Cc1ccc(F)cn1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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2.82 -48.8n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289853
PNG
(2-(1H-tetrazol-5-yl)ethyl (4-(((S)-1-((R)-6-chloro...)
Show SMILES Fc1ccc(C[C@H](NC(=O)c2ccc(NC(=O)OCCc3nnn[nH]3)cc2)C(=O)N2CCC[C@@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c32)cc1 |r|
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3.22 -48.5n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50340378
PNG
(3-(4-(2-(ethylsulfonyl)ethyl)bicyclo[2.2.2]octan-1...)
Show SMILES CCS(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C22H28F3N3O2S/c1-3-31(29,30)15-14-20-8-11-21(12-9-20,13-10-20)19-27-26-18(28(19)2)16-6-4-5-7-17(16)22(23,24)25/h4-7H,3,8-15H2,1-2H3
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3.90n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Bioorg Med Chem Lett 23: 3650-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.011
BindingDB Entry DOI: 10.7270/Q29S1SDM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289805
PNG
(US10093683, Example 116A | US10093683, Example 116...)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)NC(C[C@@H]1CCCO1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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4.21 -47.8n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50435691
PNG
(CHEMBL2391968)
Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1noc(n1)C(C)(F)F)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H22F5N5O/c1-19(23,24)18-28-16(31-33-18)20-7-10-21(11-8-20,12-9-20)17-30-29-15(32(17)2)13-5-3-4-6-14(13)22(25,26)27/h3-6H,7-12H2,1-2H3
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7n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Bioorg Med Chem Lett 23: 3650-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.011
BindingDB Entry DOI: 10.7270/Q29S1SDM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289805
PNG
(US10093683, Example 116A | US10093683, Example 116...)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)NC(C[C@@H]1CCCO1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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7.51 -46.4n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289849
PNG
(Methyl 3-amino-6-(((S)-1-((R)-6-chloro-2-oxo-1,2-d...)
Show SMILES COC(=O)Nc1n[nH]c2cc(ccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r|
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9 -45.9n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289787
PNG
(US10093683, Example 14b)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(C)cc21 |r|
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9.5 -45.8n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289811
PNG
(Methyl (4-(((S)-1-((R)-6-chloro-5-fluoro-2-oxo-1,2...)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC(C)(C)OC)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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10.2 -45.6n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289801
PNG
(Methyl (4-(((S)-1-((R)-6-chloro-2-oxo-1,2-dihydros...)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC(C)(C)O)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r|
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12 -45.2n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50340386
PNG
(3-(4-(ethylsulfonylmethyl)bicyclo[2.2.2]octan-1-yl...)
Show SMILES CCS(=O)(=O)CC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
Show InChI InChI=1S/C21H26F3N3O2S/c1-3-30(28,29)14-19-8-11-20(12-9-19,13-10-19)18-26-25-17(27(18)2)15-6-4-5-7-16(15)21(22,23)24/h4-7H,3,8-14H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of rat 11beta-HSD1


Bioorg Med Chem Lett 23: 3650-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.011
BindingDB Entry DOI: 10.7270/Q29S1SDM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289803
PNG
(N—((S)-1-((R)-6-chloro-5-fluoro-2-oxo-1,2-dih...)
Show SMILES Fc1c(Cl)ccc2NC(=O)O[C@]3(CCCN(C3)C(=O)C(Cc3cncnc3)NC(=O)c3ccc4[nH]c(=O)ccc4c3)c12 |r|
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15.6 -44.6n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289848
PNG
(Methyl 3-amino-6-(((S)-1-((R)-6-chloro-2-oxo-1,2-d...)
Show SMILES COC(=O)n1nc(N)c2ccc(cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r|
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18.1 -44.2n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289796
PNG
(Methyl(4-(((2S)-1-(6-chloro-2-oxo-1,2-dihydrospiro...)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1cc(no1)C1CC1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r|
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28.1 -43.1n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289794
PNG
(US10093683, Example 21b)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC1CC1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r|
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31.2 -42.8n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289797
PNG
(Methyl (4-(((S)-1-((R)-6-chloro-2-oxo-1,2-dihydros...)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC(=O)N1CC(F)(F)C1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r|
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33.3 -42.7n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289816
PNG
(US10093683, Example 122a | US10093683, Example 122...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c[nH]c(n1)C(Cc1ccccc1)C(=O)N1CCC2(C1)OC(=O)Nc1ccc(Cl)cc21
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33.6 -42.7n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289799
PNG
(Methyl (4-(((S)-1-((R)-6-chloro-2-oxo-1,2-dihydros...)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCNC(=O)C1CCC1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r|
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50.7 -41.6n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289798
PNG
(Methyl (4-(((S)-1-((R)-6-chloro-2-oxo-1,2-dihydros...)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)NC(CCF)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r|
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52 -41.6n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289800
PNG
(Methyl (4-(((2S)-1-((R)-6-chloro-2-oxo-1,2-dihydro...)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC(C)O)C(=O)N1CCC2(C1)OC(=O)Nc1ccc(Cl)cc21 |r|
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52 -41.6n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289843
PNG
(Methyl (5-(((2S)-1-(6-chloro-2-oxo-1,2-dihydrospir...)
Show SMILES COC(=O)Nc1ccc(s1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC2(C1)OC(=O)Nc1ccc(Cl)cc21 |r|
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63.4 -41.1n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289840
PNG
(2-(Piperazin-1-yl)ethyl (4-(((2S)-1-(6-chloro-2-ox...)
Show SMILES Clc1ccc2NC(=O)OC3(CCN(C3)C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(NC(=O)OCCN4CCNCC4)cc3)c2c1 |r|
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76.7 -40.6n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289826
PNG
(US10093683, Example 130 | US10093683, Example 130A...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ncc([nH]1)C(Cc1ccccc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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91.9 -40.2n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289807
PNG
(US10093683, Example 118A | US10093683, Example 118...)
Show SMILES CO[C@@H](C)C[C@H](NC(=O)c1ccc(NC(=O)OC)cc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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95.4 -40.1n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289841
PNG
(N-((2S)-1-(6-chloro-2-oxo-1,2-dihydrospiro[benzo[d...)
Show SMILES Clc1ccc2NC(=O)OC3(CCN(C3)C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc4NC(=O)CS(=O)c4c3)c2c1 |r|
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99.7 -40.0n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289842
PNG
(N-((2S)-1-(6-chloro-2-oxo-1,2-dihydrospiro[benzo[d...)
Show SMILES Clc1ccc2NC(=O)OC3(CCN(C3)C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc4NC(=O)CS(=O)(=O)c4c3)c2c1 |r|
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145 -39.0n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289823
PNG
(US10093683, Example 126B)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc(C(Cc2ccccc2)C(O)=O)n(COCC[Si](C)(C)C)c1Cl
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154 -38.9n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289820
PNG
(Methyl 4-(5-(1-(tert-butoxy)-1-oxo-3-phenylpropan-...)
Show SMILES OC(=O)c1scc(c1F)-c1c[nH]c(n1)C(Cc1ccccc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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209 -38.1n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289802
PNG
(Methyl (4-(((S)-4-(azetidin-1-yl)-1-((R)-6-chloro-...)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCN1CCC1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r|
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219 -38.0n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289771
PNG
(US10093683, Example 1b)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ncc(Cl)cc21 |r|
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246 -37.7n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289807
PNG
(US10093683, Example 118A | US10093683, Example 118...)
Show SMILES CO[C@@H](C)C[C@H](NC(=O)c1ccc(NC(=O)OC)cc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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246 -37.7n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289824
PNG
(US10093683, Example 129A | US10093683, Example 129...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nnc(o1)C(Cc1ccccc1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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320 -37.1n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289821
PNG
(2-(5-(6-aminopyridin-3-yl)-1H-imidazol-2-yl)-3-phe...)
Show SMILES Nc1ccc(cn1)-c1c[nH]c(n1)C(Cc1ccccc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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353 -36.8n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289829
PNG
(US10093683, Example 131a | US10093683, Example 131...)
Show SMILES COC(=O)Nc1ccc2[nH]c(nc2c1)C(Cc1ccccc1)C(=O)N1CCC2(C1)OC(=O)Nc1ccc(Cl)cc21
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354 -36.8n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289826
PNG
(US10093683, Example 130 | US10093683, Example 130A...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ncc([nH]1)C(Cc1ccccc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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360 -36.8n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289816
PNG
(US10093683, Example 122a | US10093683, Example 122...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c[nH]c(n1)C(Cc1ccccc1)C(=O)N1CCC2(C1)OC(=O)Nc1ccc(Cl)cc21
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364 -36.8n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289852
PNG
((2-(4-(((S)-1-((R)-6-Chloro-5-fluoro-2-oxo-1,2-dih...)
Show SMILES OP(O)(=O)COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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367 -36.7n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289835
PNG
(Methyl (3-(((S)-1-((R)-6-chloro-2-oxo-1,2-dihydros...)
Show SMILES COC(=O)Nc1ccc2c(N[C@@H](Cc3ccccc3)C(=O)N3CCC[C@@]4(C3)OC(=O)Nc3ccc(Cl)cc43)noc2c1 |r|
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523 -35.9n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289792
PNG
(US10093683, Example 20B)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC1CC1)C(=O)N1CC[C@]2(C1)C(=O)Nc1ccc(Cl)cc21 |r|
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539 -35.8n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289790
PNG
(US10093683, Example 19b)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@]2(C1)NC(=O)Nc1ccc(Cl)cc21 |r|
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708 -35.1n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289793
PNG
(US10093683, Example 21a)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC1CC1)C(=O)N1CC[C@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r|
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726 -35.0n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289833
PNG
(Methyl (2-(1-((R)-6-chloro-5-fluoro-2-oxo-1,2-dihy...)
Show SMILES COC(=O)Nc1ccc2[nH]c(cc2c1)C(Cc1ccccc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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>875>-34.6n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289824
PNG
(US10093683, Example 129A | US10093683, Example 129...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nnc(o1)C(Cc1ccccc1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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>875>-34.6n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM289826
PNG
(US10093683, Example 130 | US10093683, Example 130A...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ncc([nH]1)C(Cc1ccccc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r|
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>875>-34.6n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent




US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair
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