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Compile Data Set for Download or QSAR

Found 1131 hits with Last Name = 'lim' 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))
BDBM357210
PNG
(US10214512, Example 151-a)
PDB
MMDB

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US Patent
0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357161
PNG
(US10214512, Example 117)
PDB
MMDB

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0.0800n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357017
PNG
((S) 5-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)-2-(25-...)
PDB
MMDB

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0.0900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357214
PNG
(US10214512, Example 152-a)
PDB
MMDB

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0.0900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357188
PNG
(US10214512, Example 143-b)
PDB
MMDB

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0.100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357026
PNG
(5-(5-Chloro-2-(1H-tetrazol-1-yl)phenyl)-2-(24-((me...)
PDB
MMDB

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0.100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50317007
PNG
(2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccco1
Show InChI InChI=1S/C15H9N3O2/c16-15-17-12-8-4-1-2-5-9(8)14(19)11(12)13(18-15)10-6-3-7-20-10/h1-7H,(H2,16,17,18)
PDB
MMDB

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Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine receptor A2a by cAMP assay


J Med Chem 57: 3623-50 (2014)


Article DOI: 10.1021/jm4011669
BindingDB Entry DOI: 10.7270/Q28P621J
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357166
PNG
(US10214512, Example 122 | US10214512, Example 125)
PDB
MMDB

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0.110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357058
PNG
(US10214512, Example 38)
PDB
MMDB

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0.110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357173
PNG
(US10214512, Example 129)
PDB
MMDB

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0.120n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357206
PNG
(US10214512, Example 150-a)
PDB
MMDB

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0.130n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357057
PNG
(US10214512, Example 37)
PDB
MMDB

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0.130n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357025
PNG
(2-(25-carboxy-4-oxo-3-aza-1(1,3),2(1,2)-dibenzenac...)
PDB
MMDB

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0.130n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357153
PNG
((Z)-5-(3-Chloro-2,6-difluorophenyl)-2-(15-ethyl-24...)
PDB
MMDB

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0.130n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357192
PNG
(US10214512, Example 145-a)
PDB
MMDB

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0.140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357196
PNG
(US10214512, Example 146-a)
PDB
MMDB

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0.140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357231
PNG
(US10214512, Example 166-a)
PDB
MMDB

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0.140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357172
PNG
(US10214512, Example 128)
PDB
MMDB

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0.140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357143
PNG
((Z)-5-(5-Chloro-2-(difluoromethoxy)phenyl)-2-(24-(...)
PDB
MMDB

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0.140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357170
PNG
(US10214512, Example 126)
PDB
MMDB

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0.140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357110
PNG
(9-(5-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-1-oxido...)
PDB
MMDB

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0.140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357174
PNG
(US10214512, Example 130)
PDB
MMDB

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0.150n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357171
PNG
(US10214512, Example 127)
PDB
MMDB

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0.150n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357099
PNG
(5-(3-chloro-2,6-difluorophenyl)-2-((5R,9S)-15-fluo...)
PDB
MMDB

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0.160n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM357210
PNG
(US10214512, Example 151-a)
PDB

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0.160n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357202
PNG
(US10214512, Example 149-a)
PDB
MMDB

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0.170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357178
PNG
(US10214512, Example 134)
PDB
MMDB

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0.170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357155
PNG
((Z)-5-(3-chloro-2,6-difluorophenyl)-2-(24-((methox...)
PDB
MMDB

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0.170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357140
PNG
((Z)-5-(5-chloro-2-(trifluoromethoxy)phenyl)-2-(24-...)
PDB
MMDB

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0.170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357022
PNG
(5-(5-Chloro-2-(1H-tetrazol-1-yl)phenyl)-2-((5R,9S)...)
PDB
MMDB

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0.180n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357149
PNG
((Z)-2-(24-Amino-4-OXO-11H-3-aza-1(4,2)-imidazola-2...)
PDB
MMDB

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0.180n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357152
PNG
((Z)-5-(3-chloro-2,6-difluorophenyl)-2-(24-((methox...)
PDB
MMDB

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0.190n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357061
PNG
(US10214512, Example 41)
PDB
MMDB

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0.190n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357168
PNG
(US10214512, Example 124)
PDB
MMDB

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0.200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50201006
PNG
(CHEMBL3923709 | US10138212, Example 5)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(n1)C(C)C
PDB
MMDB

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0.200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10138212 (2018)


BindingDB Entry DOI: 10.7270/Q2WM1GGB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50200981
PNG
(CHEMBL3960148 | US10138212, Example 6)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(n1)C1CCC1
PDB
MMDB

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0.200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10138212 (2018)


BindingDB Entry DOI: 10.7270/Q2WM1GGB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50139773
PNG
(CHEMBL3765379 | US10138212, Example 101)
Show SMILES Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(OC(F)(F)F)c2n1
Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)30-14-8-2-7-13-16(14)27-19(24)28-17(13)18(29)26-10-12-5-1-4-11-6-3-9-25-15(11)12/h1-9H,10H2,(H,26,29)(H2,24,27,28)
PDB
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0.200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10138212 (2018)


BindingDB Entry DOI: 10.7270/Q2WM1GGB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50139771
PNG
(CHEMBL3765580 | US10138212, Example 12)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12
Show InChI InChI=1S/C20H17N5O2/c1-27-15-9-3-8-14-17(15)24-20(21)25-18(14)19(26)23-11-13-6-2-5-12-7-4-10-22-16(12)13/h2-10H,11H2,1H3,(H,23,26)(H2,21,24,25)
PDB
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0.200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10138212 (2018)


BindingDB Entry DOI: 10.7270/Q2WM1GGB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM303248
PNG
(2-amino-N-[(1-ethyl-2- oxo-3-pyridyl)methyl]-8- me...)
Show SMILES CCn1cccc(CNC(=O)c2nc(N)nc3c(OC)cccc23)c1=O |$;;;;;;;;HN;;;;;;;;;;;;;;;;;$|
PDB
MMDB

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0.200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10138212 (2018)


BindingDB Entry DOI: 10.7270/Q2WM1GGB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50201019
PNG
(CHEMBL3973920 | US10138212, Example 44)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(COc2ccccc2F)n1
PDB
MMDB

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Patents

US Patent
0.200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10138212 (2018)


BindingDB Entry DOI: 10.7270/Q2WM1GGB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM303246
PNG
(2-amino-N-[(3,6- dimethyl-2- pyridyl)methyl]-8- me...)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1nc(C)ccc1C |$;;;;;;;;;;;;;;;HN;;;;;;;;;$|
PDB
MMDB

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0.200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10138212 (2018)


BindingDB Entry DOI: 10.7270/Q2WM1GGB
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357230
PNG
(5-(5-chloro-2-(4-(trifluoromethyl)-1H-1,2,3-triazo...)
PDB
MMDB

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0.210n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357154
PNG
((Z)-2-(15-cyclopropyl-24-((methoxycarbonyl)amino)-...)
PDB
MMDB

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0.210n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM357151
PNG
((Z)-5-(3-Chloro-2,6-difluorophenyl)-2-(15-chloro-2...)
PDB

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0.210n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357200
PNG
(US10214512, Example 147)
PDB
MMDB

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0.220n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357031
PNG
((Z)-5-(5-Chloro-2-(1H-tetrazol-1-yl)phenyl)-2-(25-...)
PDB
MMDB

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0.220n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357176
PNG
(US10214512, Example 132)
PDB
MMDB

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0.220n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357175
PNG
(US10214512, Example 131)
PDB
MMDB

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0.220n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357150
PNG
((Z)-5-(3-chloro-2,6-difluorophenyl)-2-(24-((ethoxy...)
PDB
MMDB

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0.230n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM357155
PNG
((Z)-5-(3-chloro-2,6-difluorophenyl)-2-(24-((methox...)
PDB

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0.240n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
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