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Compile Data Set for Download or QSAR

Found 617 hits of ic50 data for polymerid = 917   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649051
PNG
(2,6-Difluoro-3-(3-methyl-5-(7- (methylsulfonyl)-4,...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCN(CC11CC1)S(C)(=O)=O
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More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649052
PNG
(3-(5-(Ethyl(tetrahydro-2H-pyran-4-yl)amino)-3- met...)
Show SMILES CCN(C1CCOCC1)c1cc2c(C)nn(-c3cc(c(F)c(O)c3F)C(F)(F)F)c2cn1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649054
PNG
(2,6-Difluoro-3-(3-methyl-5-(4- (phenylsulfonyl)pip...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCN(CC1)S(=O)(=O)c1ccccc1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649055
PNG
(2,6-Difluoro-3-(3-methyl-5-(4-((1-methyl-1H- pyraz...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCN(CC1)S(=O)(=O)c1cnn(C)c1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649056
PNG
(2,6-Difluoro-3-(5-(4-(2- methoxyethoxy)piperidin-1...)
Show SMILES COCCOC1CCN(CC1)c1cc2c(C)nn(-c3cc(c(F)c(O)c3F)C(F)(F)F)c2cn1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649062
PNG
(2,6-Difluoro-3-(3-methyl-5-(8-oxa-5- azaspiro[3.5]...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCOCC11CCC1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649063
PNG
(2,6-Difluoro-3-(6-fluoro-3-methyl-5- (methyl(tetra...)
Show SMILES CN(C1CCOCC1)c1nc2c(C)nn(-c3cc(c(F)c(O)c3F)C(F)(F)F)c2cc1F
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649064
PNG
(2,6-Difluoro-3-(6-fluoro-3-methyl-5-(7-oxa-4- azas...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cc(F)c(cc12)N1CCOCC11CC1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649065
PNG
(2,6-Difluoro-3-(6-fluoro-3-methyl-5- (methyl(tetra...)
Show SMILES CN(C1CCOCC1)c1cc2c(C)nn(-c3cc(c(F)c(O)c3F)C(F)(F)F)c2cc1F
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649066
PNG
(2,6-Difluoro-3-(3-methyl-5-(methyl(tetrahydro- 2H-...)
Show SMILES CN(C1CCOCC1)c1ccc2n(nc(C)c2c1)-c1cc(c(F)c(O)c1F)C(F)(F)F
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649067
PNG
(2,6-Difluoro-3-(5-(methyl(tetrahydro-2H-pyran- 4-y...)
Show SMILES CN(C1CCOCC1)c1ccc2n(ncc2c1)-c1cc(c(F)c(O)c1F)C(F)(F)F
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649074
PNG
(2,6-Difluoro-3-(5-(4-methoxypiperidin-1-yl)-3- met...)
Show SMILES COC1CCN(CC1)c1ncc2n(nc(C)c2n1)-c1cc(c(F)c(O)c1F)C(F)(F)F
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649075
PNG
(2,6-Difluoro-3-(3-methyl-5-(methyl(tetrahydro- 2H-...)
Show SMILES CN(C1CCOCC1)c1ncc2n(nc(C)c2n1)-c1cc(c(F)c(O)c1F)C(F)(F)F
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649076
PNG
(2,6-Difluoro-3-(3-methyl-5-(2,2,6,6- tetramethylmo...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(nc12)N1CC(C)(C)OC(C)(C)C1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649078
PNG
(2,6-Difluoro-3-(3-methyl-5-(4-oxa-7- azaspiro[2.5]...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(nc12)N1CCOC2(CC2)C1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649079
PNG
(2,6-Difluoro-3-(3-methyl-5-(5-oxa-8- azaspiro[3.5]...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(nc12)N1CCOC2(CCC2)C1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649080
PNG
(2,6-Difluoro-3-(3-methyl-5-(7- (phenylsulfonyl)-4,...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCN(CC11CC1)S(=O)(=O)c1ccccc1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649081
PNG
(2,6-Difluoro-3-(3-methyl-5-(7-((1-methyl-1H- pyraz...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCN(CC11CC1)S(=O)(=O)c1cnn(C)c1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649082
PNG
(2-Fluoro-5-(3-methyl-5-(7-oxa-4- azaspiro[2.5]octa...)
Show SMILES Cc1nn(-c2cc(O)c(F)c(c2)C(F)(F)F)c2cnc(cc12)N1CCOCC11CC1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649091
PNG
(2,6-Difluoro-3-(3-methyl-5-(7-oxa-4- azaspiro[2.5]...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2ccc(cc12)N1CCOCC11CC1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649097
PNG
(2,6-Difluoro-3-(6-fluoro-3-methyl-5-(7- (methylsul...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cc(F)c(cc12)N1CCN(CC11CC1)S(C)(=O)=O
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649101
PNG
(6-Chloro-2-fluoro-3-(6-fluoro-3-methyl-5-(7- (meth...)
Show SMILES Cc1nn(-c2ccc(Cl)c(O)c2F)c2cc(F)c(cc12)N1CCN(CC11CC1)S(C)(=O)=O
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649102
PNG
(2,6-Difluoro-3-(3-methyl-5-(1- (methylsulfonyl)-1,...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCN(C2(CCCCC2)C1)S(C)(=O)=O
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649104
PNG
(2,6-Difluoro-3-(3-methyl-5-(7- (methylsulfonyl)-4,...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(nc12)N1CCN(CC11CC1)S(C)(=O)=O
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649105
PNG
((R)-2,6-Difluoro-3-(3-methyl-5-(2- phenylmorpholin...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCO[C@@H](C1)c1ccccc1 |r|
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649107
PNG
(2-Chloro-6-fluoro-5-(6-fluoro-3-methyl-5-(7- (meth...)
Show SMILES Cc1nn(-c2cc(c(Cl)c(O)c2F)C(F)(F)F)c2cc(F)c(cc12)N1CCN(CC11CC1)S(C)(=O)=O
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649111
PNG
(3-(6-Chloro-3-methyl-5-(7-oxa-4- azaspiro[2.5]octa...)
Show SMILES Cc1nn(-c2cc(c(F)c(O)c2F)C(F)(F)F)c2cc(Cl)c(nc12)N1CCOCC11CC1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649112
PNG
(3-(6-Chloro-3-methyl-5-(methyl(tetrahydro-2H- pyra...)
Show SMILES CN(C1CCOCC1)c1nc2c(C)nn(-c3cc(c(F)c(O)c3F)C(F)(F)F)c2cc1Cl
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649113
PNG
(2-Chloro-6-fluoro-5-(3-methyl-5-(7-oxa-4- azaspiro...)
Show SMILES Cc1nn(-c2cc(c(Cl)c(O)c2F)C(F)(F)F)c2cnc(cc12)N1CCOCC11CC1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649163
PNG
(5-(5-(6-Azaspiro[2.5]octan-6-yl)-1H- pyrazolo[3,4-...)
Show SMILES Oc1cc(cc(c1F)C(F)(F)F)-n1ncc2cc(ncc12)N1CCC2(CC2)CC1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649172
PNG
(2-Fluoro-5-(3-fluoro-5-(4- (methylsulfonyl)piperaz...)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1cc2c(F)nn(-c3cc(O)c(F)c(c3)C(F)(F)F)c2cn1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM649189
PNG
(2,3-Difluoro-5-(5-(1-(methylsulfonyl)piperidin-4-y...)
Show SMILES CS(=O)(=O)N1CCC(CC1)c1ccc2n(ncc2c1)-c1cc(O)c(F)c(F)c1
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Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616195
PNG
(3,5-dichloro-4-hydroxy-N-(4- oxo-3-(4- (trifluorom...)
Show SMILES Oc1c(Cl)cc(cc1Cl)C(=O)Nc1cccc2ncn(Cc3ccc(cc3)C(F)(F)F)c(=O)c12
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BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616199
PNG
(3,5-dichloro-4-hydroxy-N-(4- oxo-3-(3- (trifluorom...)
Show SMILES Oc1c(Cl)cc(cc1Cl)C(=O)Nc1cccc2ncn(Cc3cccc(OC(F)(F)F)c3)c(=O)c12
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BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616200
PNG
(3,5-dichloro-4-hydroxy-N-(4- oxo-3-(3- (trifluorom...)
Show SMILES Oc1c(Cl)cc(cc1Cl)C(=O)Nc1cccc2ncn(Cc3cccc(c3)C(F)(F)F)c(=O)c12
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BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616201
PNG
((S)-3,5-dichloro-N-(3-(1-(3- fluorophenyl)ethyl)-4...)
Show SMILES C[C@@H](c1cccc(F)c1)n1cnc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c1=O |r|
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BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616209
PNG
(3,5-dichloro-4-hydroxy-N-(4- oxo-3-(2- (trifluorom...)
Show SMILES Oc1c(Cl)cc(cc1Cl)C(=O)Nc1cccc2ncn(Cc3ccccc3C(F)(F)F)c(=O)c12
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BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616212
PNG
(3,5-dichloro-N-(3-(1-(2- fluorophenyl)cyclopropyl)...)
Show SMILES Oc1c(Cl)cc(cc1Cl)C(=O)Nc1cccc2ncn(c(=O)c12)C1(CC1)c1ccccc1F
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BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616213
PNG
(4,6-dichloro-N-(3-(3- fluorobenzyl)-4-oxo-3,4- dih...)
Show SMILES Oc1c(Cl)cc(nc1Cl)C(=O)Nc1cccc2ncn(Cc3cccc(F)c3)c(=O)c12
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BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616223
PNG
(5-(3,5-dichloro-4- hydroxybenzamido)-N-(2- (triflu...)
Show SMILES Oc1c(Cl)cc(cc1Cl)C(=O)Nc1scnc1C(=O)NCc1ccccc1OC(F)(F)F
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BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616225
PNG
(5-(3,5-dichloro-4- hydroxybenzamido)-N-(3- fluorob...)
Show SMILES Oc1c(Cl)cc(cc1Cl)C(=O)Nc1scnc1C(=O)NCc1cccc(F)c1
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BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616226
PNG
(3-(3,5-dichloro-4- hydroxybenzamido)-N-(2- methoxy...)
Show SMILES COc1ccccc1CCNC(=O)c1sccc1NC(=O)c1cc(Cl)c(O)c(Cl)c1
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BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616228
PNG
(5-chloro-3-(3,5-dichloro-4- hydroxybenzamido)-N-(2...)
Show SMILES Oc1c(Cl)cc(cc1Cl)C(=O)Nc1cc(Cl)sc1C(=O)NCc1ccccc1OC(F)(F)F
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BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616232
PNG
(4,6-dichloro-N-{3-[(1S)-1-(3- fluorophenyl)ethyl]-...)
Show SMILES C[C@@H](c1cccc(F)c1)n1cnc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)n3)c2c1=O |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616234
PNG
(4,6-dichloro-5-hydroxy-N-(4- oxo-3-(2- (trifluorom...)
Show SMILES Oc1c(Cl)cc(nc1Cl)C(=O)Nc1cccc2ncn(Cc3ccccc3C(F)(F)F)c(=O)c12
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616235
PNG
(4,6-dichloro-N-(3-(2- fluorobenzyl)-4-oxo-3,4- dih...)
Show SMILES Oc1c(Cl)cc(nc1Cl)C(=O)Nc1cccc2ncn(Cc3ccccc3F)c(=O)c12
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616237
PNG
((R)-3,5-dichloro-N-(3-(1-(3- fluorophenyl)ethyl)-4...)
Show SMILES C[C@H](c1cccc(F)c1)n1cnc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c1=O |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616243
PNG
(3,5-dichloro-N-(3-(2- cyanobenzyl)-4-oxo-3,4- dihy...)
Show SMILES Oc1c(Cl)cc(cc1Cl)C(=O)Nc1cccc2ncn(Cc3ccccc3C#N)c(=O)c12
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616253
PNG
(3,5-dichloro-4-hydroxy-N-(2- methyl-4-oxo-3-(2- (t...)
Show SMILES Cc1nc2cccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1Cc1ccccc1OC(F)(F)F
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase 13


(Human)
BDBM616256
PNG
(N-(3-((1H-indazol-3-yl)methyl)- 4-oxo-3,4-dihydroq...)
Show SMILES Clc1cc(cc(Cl)c1Cl)C(=O)Nc1cccc2ncn(Cc3n[nH]c4ccccc34)c(=O)c12
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2183BNG
More data for this
Ligand-Target Pair
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