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Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 11851   
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
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627271
PNG
(3-[3-(cyclopropoxy)phenyl]- 1-isopropyl-N-(3-methy...)
Show SMILES CC(C)n1nc(-c2cccc(OC3CC3)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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n/an/a 0.900n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627288
PNG
(3-(5-(difluoromethoxy)-2- fluorophenyl)-1-isopropy...)
Show SMILES CC(C)n1nc(-c2cc(OC(F)F)ccc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627228
PNG
(3-[3-(difluoromethoxy)phenyl]- N-(3-methyl-1,1-dio...)
Show SMILES CC[C@H](C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627264
PNG
(4-cyano-3-(3- (difluoromethoxy)phenyl)-1- isopropy...)
Show SMILES CC(C)n1nc(-c2cccc(OC(F)F)c2)c2c(cc(cc12)C(=O)NC1(C)CS(=O)(=O)C1)C#N
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627301
PNG
(3-(3- (difluoromethoxy)phenyl)- 1-(3-hydroxy-3- me...)
Show SMILES C[C@@H](n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1)C(C)(C)O |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627262
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (3,3-dimethylcycl...)
Show SMILES CC1(C)CC(C1)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627290
PNG
(3-(5-ethoxy-2-fluorophenyl)- 1-isopropyl-N-(3-meth...)
Show SMILES CCOc1ccc(F)c(c1)-c1nn(C(C)C)c2cc(cnc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM652893
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (3-hydroxybutan-2...)
Show SMILES CC(O)[C@H](C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627287
PNG
(3-(3-cyclopropylphenyl)-1- (2-hydroxy-2-methylprop...)
Show SMILES CC(C)(O)Cn1nc(-c2cccc(c2)C2CC2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627161
PNG
((S)-3-(3- (difluoromethoxy)phenyl)-1-(4- fluorophe...)
Show SMILES C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1cnc2c(nn(-c3ccc(F)cc3)c2c1)-c1cccc(OC(F)F)c1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627266
PNG
(3-[3-(2,2- difluoroethoxy)phenyl]-1- isopropyl-N-(...)
Show SMILES CC(C)n1nc(-c2cccc(OCC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627295
PNG
(3-(2-chloro-5- (difluoromethoxy)phenyl)-1- isoprop...)
Show SMILES CC(C)n1nc(-c2cc(OC(F)F)ccc2Cl)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627246
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (2,2-dimethyltetr...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn([C@H]3CCOC(C)(C)C3)c2c1)-c1cccc(OC(F)F)c1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627297
PNG
(3-(5-fluoro-2-(2,2,2- trifluoroethoxy)pyridin-4-yl...)
Show SMILES CC(C)n1nc(-c2cc(OCC(F)(F)F)ncc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627296
PNG
(3-(2-(2,2-difluoroethoxy)-5- fluoropyridin-4-yl)-1...)
Show SMILES CC(C)n1nc(-c2cc(OCC(F)F)ncc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627242
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (3-fluorotetrahyd...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn(C3CCOC[C@H]3F)c2c1)-c1cccc(OC(F)F)c1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627292
PNG
(3-(5-cyclopropyl-2- fluorophenyl)-1-isopropyl-N- (...)
Show SMILES CC(C)n1nc(-c2cc(ccc2F)C2CC2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627303
PNG
(3-(5-(difluoromethoxy)-2- fluorophenyl)-1-(3- hydr...)
Show SMILES C[C@@H](n1nc(-c2cc(OC(F)F)ccc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1)C(C)(C)O |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627158
PNG
((S)-3-(3-(difluoromethoxy)phenyl)- 1-(4-fluorophen...)
Show SMILES C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1cc2n(nc(-c3cccc(OC(F)F)c3)c2cn1)-c1ccc(F)cc1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627284
PNG
(3-(5-cyclobutoxy-2- fluorophenyl)-1-isopropyl-N- (...)
Show SMILES CC(C)n1nc(-c2cc(OC3CCC3)ccc2F)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627291
PNG
((S)-1-(sec-butyl)-3-(2- (difluoromethoxy)-5- fluor...)
Show SMILES CC[C@H](C)n1nc(-c2cc(OC(F)F)ncc2F)c2ncc(cc12)C(=O)NC1(C)CCS(=O)(=O)CC1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627256
PNG
((S)-3-(3- (difluoromethoxy)phenyl)-4- methyl-N-(3-...)
Show SMILES Cc1cc(cc2n(nc(-c3cccc(OC(F)F)c3)c12)C1CCOCC1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM652950
PNG
(3-(2-(difluoromethoxy)-5- fluoropyridin-4-yl)-1-(3...)
Show SMILES C[C@H](n1nc(-c2cc(OC(F)F)ncc2F)c2cnc(cc12)C(=O)NC1(C)CS(=O)(=O)C1)C(C)(C)O |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627157
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (5-fluoropyrimidi...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn(-c3ncc(F)cn3)c2c1)-c1cccc(OC(F)F)c1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627231
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (2-hydroxypropyl)...)
Show SMILES C[C@@H](O)Cn1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627224
PNG
(3-(3-(difluoromethoxy)phenyl)- N-(3-methyl-1,1-dio...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn(C3CCOCC3)c2c1)-c1cccc(OC(F)F)c1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627293
PNG
(3-(2-fluoro-5- (trifluoromethoxy)phenyl)-1- isopro...)
Show SMILES CC(C)n1nc(-c2cc(OC(F)(F)F)ccc2F)c2ncc(cc12)C(=O)NC1(C)CCS(=O)(=O)CC1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627289
PNG
(1-isopropyl-N-(3-methyl-1,1- dioxidothietan-3-yl)-...)
Show SMILES CC(C)n1nc(-c2cncc(OC(F)(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627244
PNG
(3-(3-(difluoromethoxy)phenyl)- N-(3-methyl-1,1-dio...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn(C3CCO[C@@H](C3)C(F)(F)F)c2c1)-c1cccc(OC(F)F)c1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627286
PNG
(3-(3- (difluoromethoxy)phenyl)-1- (2-hydroxy-2-met...)
Show SMILES CC(C)(O)Cn1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627167
PNG
((S)-3-(3- (difluoromethoxy)phenyl)-1-(4- fluorophe...)
Show SMILES C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1cc2n(cc(-c3cccc(OC(F)F)c3)c2cn1)-c1ccc(F)cc1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627258
PNG
(1-(3,3-difluorocyclobutyl)-3-(3- (difluoromethoxy)...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn(C3CC(F)(F)C3)c2c1)-c1cccc(OC(F)F)c1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627268
PNG
(3-[5-(difluoromethoxy)-3- pyridyl]-1-isopropyl-N-(...)
Show SMILES CC(C)n1nc(-c2cncc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627241
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (3-fluorotetrahyd...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn(C3CCOC[C@@H]3F)c2c1)-c1cccc(OC(F)F)c1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627220
PNG
(3-[3-(difluoromethoxy)phenyl]- N-[(3S)-3-methyl-1,...)
Show SMILES C[C@]1(CCS(=O)(=O)C1)NC(=O)c1cnc2c(nn(C3CCOC3)c2c1)-c1cccc(OC(F)F)c1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627234
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (4-fluorobenzyl)-...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn(Cc3ccc(F)cc3)c2c1)-c1cccc(OC(F)F)c1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627281
PNG
(3-(5-cyclopropoxypyridin-3- yl)-1-isopropyl-N-(3-m...)
Show SMILES CC(C)n1nc(-c2cncc(OC3CC3)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM652894
PNG
(3-(3-(difluoromethoxy)phenyl)-1- (3-hydroxybutan-2...)
Show SMILES CC(O)C(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627273
PNG
(3-[5-(difluoromethoxy)-3- pyridyl]-N-[(1S,2S)-2- h...)
Show SMILES CC(C)n1nc(-c2cncc(OC(F)F)c2)c2ncc(cc12)C(=O)N[C@H]1CCCC[C@@H]1O |r|
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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627156
PNG
((S)-3-(3-(difluoromethoxy)phenyl)- 1-(5-fluoropyri...)
Show SMILES C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1cnc2c(nn(-c3ncc(F)cn3)c2c1)-c1cccc(OC(F)F)c1 |r|
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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627233
PNG
(3-(3-(difluoromethoxy)phenyl)- N-(3-methyl-1,1-dio...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn(CC3CCOCC3)c2c1)-c1cccc(OC(F)F)c1
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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627222
PNG
(3-[3-(difluoromethoxy)phenyl]- N-[(3S)-3-methyl-1,...)
Show SMILES C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1cnc2c(nn(C3CCCOC3)c2c1)-c1cccc(OC(F)F)c1 |r|
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Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627239
PNG
(3-(3-(difluoromethoxy)phenyl)- N-(4-(hydroxymethyl...)
Show SMILES CC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(CO)CCOCC1
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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627221
PNG
(3-[3-(difluoromethoxy)phenyl]- N-(3-methyl-1,1-dio...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn(C3COC3)c2c1)-c1cccc(OC(F)F)c1
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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM652904
PNG
(1-(3-cyano-3-methylcyclobutyl)- 3-(3-(difluorometh...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn(C3C[C@](C)(C3)C#N)c2c1)-c1cccc(OC(F)F)c1 |r,wU:19.20,wD:19.23,(6.84,-1.56,;6.07,-2.9,;7.4,-3.67,;6.63,-5,;7.75,-6.06,;6.2,-6.48,;5.3,-4.23,;4.74,-2.13,;4.74,-.59,;6.07,.18,;3.4,.18,;3.4,1.72,;2.07,2.49,;.73,1.72,;-.73,2.2,;-1.64,.95,;-.73,-.29,;-1.21,-1.76,;-2.58,-2.46,;-1.88,-3.83,;-1.52,-5.33,;-.51,-3.13,;-3.05,-4.83,;-4.22,-5.83,;.73,.18,;2.07,-.59,;-1.21,3.66,;-.18,4.81,;-.65,6.27,;-2.16,6.59,;-3.19,5.45,;-4.7,5.77,;-5.17,7.23,;-6.68,7.55,;-4.14,8.38,;-2.71,3.98,)|
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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627227
PNG
(3-[3-(difluoromethoxy)phenyl]- N-(3-methyl-1,1-dio...)
Show SMILES CC[C@@H](C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(C)CS(=O)(=O)C1 |r|
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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627169
PNG
(3-(3-(difluoromethoxy)phenyl)- 1-(5-fluoropyrimidi...)
Show SMILES CC(CS(C)(=O)=O)NC(=O)c1cnc2c(cn(-c3ncc(F)cn3)c2c1)-c1cccc(OC(F)F)c1
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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627230
PNG
(3-(3-(difluoromethoxy)phenyl)- N-(3-methyl-1,1-dio...)
Show SMILES CC1(CS(=O)(=O)C1)NC(=O)c1cnc2c(nn(C[C@@H](O)C(F)(F)F)c2c1)-c1cccc(OC(F)F)c1 |r|
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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627238
PNG
(3-(3-(difluoromethoxy)phenyl)- N-(4-(1-hydroxyethy...)
Show SMILES CC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(cc12)C(=O)NC1(CCOCC1)[C@H](C)O |r|
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More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM627280
PNG
(3-(5- (difluoromethoxy)pyridin-3- yl)-N-((1S,2R)-2...)
Show SMILES CC(C)n1nc(-c2cncc(OC(F)F)c2)c2ncc(cc12)C(=O)N[C@H]1CCC[C@H]1O |r|
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Ligand-Target Pair
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