Compile Data Set for Download or QSAR
Report error Found 167 Enz. Inhib. hit(s) with all data for entry = 4020
LigandChemical structure of BindingDB Monomer ID 43381BDBM43381(SMR000159660 | MLS000544543 | N'-[3-(2,3-dihydro-1...)
Affinity DataEC50:  2.10nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43398BDBM43398(MLS000569046 | cid_5749438 | (E)-4-(2-sulfanyliden...)
Affinity DataEC50:  10nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43492BDBM43492(1-(3,5-dichlorophenyl)-4-[(pyridin-3-ylmethylene)a...)
Affinity DataEC50:  10nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43437BDBM43437(SMR000324732 | MLS000680115 | cid_7150639 | (6-met...)
Affinity DataEC50:  10nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43393BDBM43393(cid_1348398 | (5Z)-5-[[5-(3-chlorophenyl)-2-furany...)
Affinity DataEC50:  10nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43428BDBM43428(cid_1229743 | 3-[(4-propan-2-ylphenoxy)methyl]-N-(...)
Affinity DataEC50:  20nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43377BDBM43377(cid_2107414 | 2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)...)
Affinity DataEC50:  30nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43343BDBM43343(N-cyclohexyl-2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4...)
Affinity DataEC50:  40nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43399BDBM43399((2Z)-2-[[4-(diethylamino)phenyl]methylidene]-1,3-d...)
Affinity DataEC50:  70nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43394BDBM43394(MLS000580916 | 4-Methyl-N-{5-[1-(1-methyl-1H-pyrro...)
Affinity DataEC50:  90nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43395BDBM43395(2-[1-(4-Diethylamino-phenyl)-meth-(E)-ylidene]-1,3...)
Affinity DataEC50:  100nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43447BDBM43447(MLS000677107 | (5Z)-1-[2-(4-fluorophenyl)ethyl]-5-...)
Affinity DataEC50:  130nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43391BDBM43391(3-[[2,4-bis(chloranyl)phenoxy]methyl]-N-methyl-N-p...)
Affinity DataEC50:  160nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43351BDBM43351(SMR000065944 | 5-methyl-2-pyrazinecarboxylic acid ...)
Affinity DataEC50:  170nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43362BDBM43362(TETRAMETHYLTHIURAM DISULFIDE | SMR000059023 | MLS0...)
Affinity DataEC50:  180nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43410BDBM43410(MLS000720375 | N-(1,3-benzodioxol-5-yl)-2-[[3-(4-m...)
Affinity DataEC50:  190nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43443BDBM43443(N5-(isoquinolin-5-ylmethyl)-N6-(2-methoxyethyl)-N5...)
Affinity DataEC50:  220nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43383BDBM43383((Z)-3-(3,4-dimethoxyphenyl)-1-(2-ethylsulfanylbenz...)
Affinity DataEC50:  240nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43478BDBM43478(5-(furan-2-ylmethylimino)-N,N-dimethyl-1,2,4-dithi...)
Affinity DataEC50:  260nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43386BDBM43386((E)-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)-3-(...)
Affinity DataEC50:  270nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43451BDBM43451(cid_3100036 | MLS000693671 | SMR000285418 | ethyl ...)
Affinity DataEC50:  290nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43474BDBM43474((3Z,5E)-1-ethyl-3,5-bis[(4-methoxy-3-oxidanyl-phen...)
Affinity DataEC50:  380nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43464BDBM43464(N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-me...)
Affinity DataEC50:  380nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 39392BDBM39392(3-[2-(acetylamino)ethyl]-5-methoxy-1H-indole-2-car...)
Affinity DataEC50:  390nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43484BDBM43484(SMR000445626 | (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5...)
Affinity DataEC50:  420nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43392BDBM43392(N-(4-fluorophenyl)-2-(2-nitrophenyl)sulfonylbenzam...)
Affinity DataEC50:  530nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43463BDBM43463((Z)-2,3-bis(chloranyl)-3-[(4-methoxyphenyl)methyls...)
Affinity DataEC50:  560nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43348BDBM43348(SMR000040429 | MLS000039260 | cid_659383 | 6-(meth...)
Affinity DataEC50:  560nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43483BDBM43483(cid_282529 | Aromaticin | SMR000445634 | (3aS,5R,5...)
Affinity DataEC50:  590nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43479BDBM43479(1-Piperidinecarboxylic acid, 4-oxo-3,5-bis(phenyl-...)
Affinity DataEC50:  610nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43465BDBM43465(SMR000334340 | (Z)-2,3-dichloro-3-[(4-chlorophenyl...)
Affinity DataEC50:  620nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43458BDBM43458(N-cyclopentyl-2-[6-(furan-2-yl)pyridazin-3-yl]sulf...)
Affinity DataEC50:  750nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43476BDBM43476(1-methyl-4-[(2,3,4,5-tetrachloro-1-cyclopenta-2,4-...)
Affinity DataEC50:  780nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43490BDBM43490((E)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fl...)
Affinity DataEC50:  810nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43375BDBM43375(2-[1-Cyano-2,2,2-trifluoro-eth-(E)-ylidene]-5-phen...)
Affinity DataEC50:  840nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43422BDBM43422(SMR000261043 | cid_2423595 | (E)-2-cyano-3-[3-[(E)...)
Affinity DataEC50:  940nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 41591BDBM41591(MLS000540304 | (Z)-2,3-bis(chloranyl)-N-(6-methoxy...)
Affinity DataEC50:  960nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43488BDBM43488((E)-3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(2-fluo...)
Affinity DataEC50:  1.00E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43480BDBM43480(MLS000756825 | cid_371271 | 7,11-dimethylbenzo[a]c...)
Affinity DataEC50:  1.03E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43407BDBM43407(cid_4133680 | MLS000697098 | 4-(3,4-dihydro-2H-qui...)
Affinity DataEC50:  1.03E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43396BDBM43396(MLS000591663 | (E)-N-(5-Methyl-2H-[1,2,4]triazol-3...)
Affinity DataEC50:  1.09E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43486BDBM43486(SMR000452979 | MLS000829704 | CMLD003472 | cid_167...)
Affinity DataEC50:  1.09E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43387BDBM43387(cid_834844 | 5-Methyl-1-(2-thioxo-benzooxazol-3-yl...)
Affinity DataEC50:  1.20E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43489BDBM43489((E)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-pheny...)
Affinity DataEC50:  1.32E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43366BDBM43366(5'-phenyl-5-propan-2-yl-spiro[1H-indole-3,2'-3H-1,...)
Affinity DataEC50:  1.42E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43416BDBM43416(MLS000375336 | cid_4811966 | SMR000254589 | N-[1-(...)
Affinity DataEC50:  1.55E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43342BDBM43342(2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)thio]-...)
Affinity DataEC50:  1.67E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43457BDBM43457((E)-1-(1-benzimidazolyl)-3-(3-nitrophenyl)-2-prope...)
Affinity DataEC50:  1.68E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43424BDBM43424(N-(cyclohexylmethyl)-2-(4,5-dichloro-6-oxo-1-pyrid...)
Affinity DataEC50:  1.89E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 43440BDBM43440(MLS000723790 | 1-(4-ethoxyphenyl)-3-(3-morpholin-4...)
Affinity DataEC50:  1.95E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2011
Entry Details
PCBioAssay
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