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PubMed code 28195704

Compile data set for download or QSAR
Found 47 hits of Enzyme Inhibition Constant Data   
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
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223183
PNG
(Sodium 6-(trans-4-(1-(2-(ethyl(3-ethylphenyl)amino...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCCCCS(O)(=O)=O)c1cccc(CC)c1
Show InChI InChI=1S/C32H44N4O6S2/c1-3-23-10-9-11-26(20-23)35(4-2)30(37)22-36-27-16-18-43-29(27)21-28(36)32(39)34-25-14-12-24(13-15-25)31(38)33-17-7-5-6-8-19-44(40,41)42/h9-11,16,18,20-21,24-25H,3-8,12-15,17,19,22H2,1-2H3,(H,33,38)(H,34,39)(H,40,41,42)
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n/an/a 1.90n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223182
PNG
(1-(2-(Ethyl(3-ethylphenyl)amino)-2-oxoethyl)-N-(tr...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCCCCO)c1cccc(CC)c1
Show InChI InChI=1S/C32H44N4O4S/c1-3-23-10-9-11-26(20-23)35(4-2)30(38)22-36-27-16-19-41-29(27)21-28(36)32(40)34-25-14-12-24(13-15-25)31(39)33-17-7-5-6-8-18-37/h9-11,16,19-21,24-25,37H,3-8,12-15,17-18,22H2,1-2H3,(H,33,39)(H,34,40)
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n/an/a 2.30n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223160
PNG
(Methyl trans-4-(4-(2-(ethyl(3-ethylphenyl)amino)-2...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(CC)c1
Show InChI InChI=1S/C27H33N3O4S/c1-4-18-7-6-8-21(15-18)29(5-2)25(31)17-30-22-13-14-35-24(22)16-23(30)26(32)28-20-11-9-19(10-12-20)27(33)34-3/h6-8,13-16,19-20H,4-5,9-12,17H2,1-3H3,(H,28,32)/t19-,20-
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n/an/a 3.90n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223171
PNG
(Methyl trans-4-(1-(2-(ethyl(3-ethylphenyl)amino)-2...)
Show SMILES CCN(C(=O)Cn1c(cc2ccccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(CC)c1
Show InChI InChI=1S/C29H35N3O4/c1-4-20-9-8-11-24(17-20)31(5-2)27(33)19-32-25-12-7-6-10-22(25)18-26(32)28(34)30-23-15-13-21(14-16-23)29(35)36-3/h6-12,17-18,21,23H,4-5,13-16,19H2,1-3H3,(H,30,34)/t21-,23-
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n/an/a 5.40n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223162
PNG
(Methyl trans-4-(4-(2-(ethyl(3-isobutylphenyl)amino...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(CC(C)C)c1
Show InChI InChI=1S/C29H37N3O4S/c1-5-31(23-8-6-7-20(16-23)15-19(2)3)27(33)18-32-24-13-14-37-26(24)17-25(32)28(34)30-22-11-9-21(10-12-22)29(35)36-4/h6-8,13-14,16-17,19,21-22H,5,9-12,15,18H2,1-4H3,(H,30,34)/t21-,22-
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n/an/a 27n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223177
PNG
(4-(2-(Ethyl(m-tolyl)amino)-2-oxoethyl)-N-(trans-4-...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCCCCO)c1cccc(C)c1
Show InChI InChI=1S/C31H42N4O4S/c1-3-34(25-10-8-9-22(2)19-25)29(37)21-35-26-15-18-40-28(26)20-27(35)31(39)33-24-13-11-23(12-14-24)30(38)32-16-6-4-5-7-17-36/h8-10,15,18-20,23-24,36H,3-7,11-14,16-17,21H2,1-2H3,(H,32,38)(H,33,39)
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Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223180
PNG
(8-(trans-4-(4-(2-(Ethyl(m-tolyl)amino)-2-oxoethyl)...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCCCCCC(O)=O)c1cccc(C)c1
Show InChI InChI=1S/C33H44N4O5S/c1-3-36(26-11-9-10-23(2)20-26)30(38)22-37-27-17-19-43-29(27)21-28(37)33(42)35-25-15-13-24(14-16-25)32(41)34-18-8-6-4-5-7-12-31(39)40/h9-11,17,19-21,24-25H,3-8,12-16,18,22H2,1-2H3,(H,34,41)(H,35,42)(H,39,40)
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Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223167
PNG
(Methyl trans-4-(1-(2-(ethyl(m-tolyl)amino)-2-oxoet...)
Show SMILES CCN(C(=O)Cn1c(cc2ccccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1
Show InChI InChI=1S/C28H33N3O4/c1-4-30(23-10-7-8-19(2)16-23)26(32)18-31-24-11-6-5-9-21(24)17-25(31)27(33)29-22-14-12-20(13-15-22)28(34)35-3/h5-11,16-17,20,22H,4,12-15,18H2,1-3H3,(H,29,33)/t20-,22-
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Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223185
PNG
(BDBM 223185 | N-(trans-4-((6-(3',6'-dihydr...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NCCCCCCNC(=O)c1ccc2COC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)c1cccc(C)c1
Show InChI InChI=1S/C52H55N5O8S/c1-3-56(37-10-8-9-32(2)25-37)48(60)30-57-43-21-24-66-47(43)29-44(57)51(63)55-36-15-13-33(14-16-36)49(61)53-22-6-4-5-7-23-54-50(62)34-11-12-35-31-64-52(42(35)26-34)40-19-17-38(58)27-45(40)65-46-28-39(59)18-20-41(46)52/h8-12,17-21,24-29,33,36,58-59H,3-7,13-16,22-23,30-31H2,1-2H3,(H,53,61)(H,54,62)(H,55,63)/t33-,36-
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Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223178
PNG
(N-(trans-4-((6-aminohexyl)carbamoyl)cyclohexyl)-4-...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCCCCN)c1cccc(C)c1
Show InChI InChI=1S/C31H43N5O3S/c1-3-35(25-10-8-9-22(2)19-25)29(37)21-36-26-15-18-40-28(26)20-27(36)31(39)34-24-13-11-23(12-14-24)30(38)33-17-7-5-4-6-16-32/h8-10,15,18-20,23-24H,3-7,11-14,16-17,21,32H2,1-2H3,(H,33,38)(H,34,39)
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Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223184
PNG
((11S,14S,17S)-17-Acetamido-11,14-bis(carboxymethyl...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NCCCCCCNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)c1cccc(C)c1
Show InChI InChI=1S/C45H60N8O13S/c1-4-52(30-11-9-10-26(2)20-30)37(55)25-53-34-16-19-67-36(34)24-35(53)45(66)49-29-14-12-28(13-15-29)41(62)46-17-7-5-6-8-18-47-42(63)31(21-38(56)57)50-44(65)33(23-40(60)61)51-43(64)32(22-39(58)59)48-27(3)54/h9-11,16,19-20,24,28-29,31-33H,4-8,12-15,17-18,21-23,25H2,1-3H3,(H,46,62)(H,47,63)(H,48,54)(H,49,66)(H,50,65)(H,51,64)(H,56,57)(H,58,59)(H,60,61)/t28-,29-,31-,32-,33-/m0/s1
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Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223181
PNG
(Sodium 6-(trans-4-(4-(2-(ethyl(m-tolyl)amino)-2-ox...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCCCCS(O)(=O)=O)c1cccc(C)c1
Show InChI InChI=1S/C31H42N4O6S2/c1-3-34(25-10-8-9-22(2)19-25)29(36)21-35-26-15-17-42-28(26)20-27(35)31(38)33-24-13-11-23(12-14-24)30(37)32-16-6-4-5-7-18-43(39,40)41/h8-10,15,17,19-20,23-24H,3-7,11-14,16,18,21H2,1-2H3,(H,32,37)(H,33,38)(H,39,40,41)
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Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223179
PNG
(6-(trans-4-(4-(2-(Ethyl(m-tolyl)amino)-2-oxoethyl)...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCCCC(O)=O)c1cccc(C)c1
Show InChI InChI=1S/C31H40N4O5S/c1-3-34(24-9-7-8-21(2)18-24)28(36)20-35-25-15-17-41-27(25)19-26(35)31(40)33-23-13-11-22(12-14-23)30(39)32-16-6-4-5-10-29(37)38/h7-9,15,17-19,22-23H,3-6,10-14,16,20H2,1-2H3,(H,32,39)(H,33,40)(H,37,38)
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Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223156
PNG
(Methyl trans-4-(4-(2-(ethyl(phenyl)amino)-2-oxoeth...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1ccccc1
Show InChI InChI=1S/C25H29N3O4S/c1-3-27(19-7-5-4-6-8-19)23(29)16-28-20-13-14-33-22(20)15-21(28)24(30)26-18-11-9-17(10-12-18)25(31)32-2/h4-8,13-15,17-18H,3,9-12,16H2,1-2H3,(H,26,30)/t17-,18-
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Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223164
PNG
(Methyl trans-4-(4-(2-(ethyl(3-methoxyphenyl)amino)...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(OC)c1
Show InChI InChI=1S/C26H31N3O5S/c1-4-28(19-6-5-7-20(14-19)33-2)24(30)16-29-21-12-13-35-23(21)15-22(29)25(31)27-18-10-8-17(9-11-18)26(32)34-3/h5-7,12-15,17-18H,4,8-11,16H2,1-3H3,(H,27,31)/t17-,18-
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Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223161
PNG
(Methyl trans-4-(4-(2-(ethyl(3-isopropylphenyl)amin...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(c1)C(C)C
Show InChI InChI=1S/C28H35N3O4S/c1-5-30(22-8-6-7-20(15-22)18(2)3)26(32)17-31-23-13-14-36-25(23)16-24(31)27(33)29-21-11-9-19(10-12-21)28(34)35-4/h6-8,13-16,18-19,21H,5,9-12,17H2,1-4H3,(H,29,33)/t19-,21-
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Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223146
PNG
(trans-Methyl-4-(4-(2-(ethyl(m-tolyl)amino)-2-oxoet...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1
Show InChI InChI=1S/C26H31N3O4S/c1-4-28(20-7-5-6-17(2)14-20)24(30)16-29-21-12-13-34-23(21)15-22(29)25(31)27-19-10-8-18(9-11-19)26(32)33-3/h5-7,12-15,18-19H,4,8-11,16H2,1-3H3,(H,27,31)/t18-,19-
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n/an/a 150n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223163
PNG
(Methyl trans-4-(4-(2-((3-cyanophenyl)(ethyl)amino)...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(c1)C#N
Show InChI InChI=1S/C26H28N4O4S/c1-3-29(20-6-4-5-17(13-20)15-27)24(31)16-30-21-11-12-35-23(21)14-22(30)25(32)28-19-9-7-18(8-10-19)26(33)34-2/h4-6,11-14,18-19H,3,7-10,16H2,1-2H3,(H,28,32)/t18-,19-
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Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223176
PNG
(4-(2-(Ethyl(m-tolyl)amino)-2-oxoethyl)-N-(trans-4-...)
Show SMILES CCCCCCNC(=O)C1CCC(CC1)NC(=O)c1cc2sccc2n1CC(=O)N(CC)c1cccc(C)c1
Show InChI InChI=1S/C31H42N4O3S/c1-4-6-7-8-17-32-30(37)23-12-14-24(15-13-23)33-31(38)27-20-28-26(16-18-39-28)35(27)21-29(36)34(5-2)25-11-9-10-22(3)19-25/h9-11,16,18-20,23-24H,4-8,12-15,17,21H2,1-3H3,(H,32,37)(H,33,38)
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Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223147
PNG
(Methyl-cis-4-(4-(2-(ethyl(m-tolyl)amino)-2-oxoethy...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@H](CC1)C(=O)OC)c1cccc(C)c1
Show InChI InChI=1S/C26H31N3O4S/c1-4-28(20-7-5-6-17(2)14-20)24(30)16-29-21-12-13-34-23(21)15-22(29)25(31)27-19-10-8-18(9-11-19)26(32)33-3/h5-7,12-15,18-19H,4,8-11,16H2,1-3H3,(H,27,31)/t18-,19+
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n/an/a 230n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223165
PNG
(Methyl trans-4-(4-(2-((3-carbamoylphenyl)(ethyl)am...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C26H30N4O5S/c1-3-29(19-6-4-5-17(13-19)24(27)32)23(31)15-30-20-11-12-36-22(20)14-21(30)25(33)28-18-9-7-16(8-10-18)26(34)35-2/h4-6,11-14,16,18H,3,7-10,15H2,1-2H3,(H2,27,32)(H,28,33)/t16-,18-
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Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223143
PNG
(N-cyclohexyl-4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCCCC1)c1cccc(C)c1
Show InChI InChI=1S/C24H29N3O2S/c1-3-26(19-11-7-8-17(2)14-19)23(28)16-27-20-12-13-30-22(20)15-21(27)24(29)25-18-9-5-4-6-10-18/h7-8,11-15,18H,3-6,9-10,16H2,1-2H3,(H,25,29)
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n/an/a 260n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223172
PNG
(N-(trans-4-(butylcarbamoyl)cyclohexyl)-4-(2-(ethyl...)
Show SMILES CCCCNC(=O)C1CCC(CC1)NC(=O)c1cc2sccc2n1CC(=O)N(CC)c1cccc(C)c1
Show InChI InChI=1S/C29H38N4O3S/c1-4-6-15-30-28(35)21-10-12-22(13-11-21)31-29(36)25-18-26-24(14-16-37-26)33(25)19-27(34)32(5-2)23-9-7-8-20(3)17-23/h7-9,14,16-18,21-22H,4-6,10-13,15,19H2,1-3H3,(H,30,35)(H,31,36)
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Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223142
PNG
(N-cyclopentyl-4-(2-(ethyl(m-tolyl)amino)-2-oxoethy...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCCC1)c1cccc(C)c1
Show InChI InChI=1S/C23H27N3O2S/c1-3-25(18-10-6-7-16(2)13-18)22(27)15-26-19-11-12-29-21(19)14-20(26)23(28)24-17-8-4-5-9-17/h6-7,10-14,17H,3-5,8-9,15H2,1-2H3,(H,24,28)
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n/an/a 540n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223169
PNG
(Methyl trans-4-(4-(2-(ethyl(m-tolyl)amino)-2-oxoet...)
Show SMILES CCN(C(=O)Cn1c(cc2occc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1
Show InChI InChI=1S/C26H31N3O5/c1-4-28(20-7-5-6-17(2)14-20)24(30)16-29-21-12-13-34-23(21)15-22(29)25(31)27-19-10-8-18(9-11-19)26(32)33-3/h5-7,12-15,18-19H,4,8-11,16H2,1-3H3,(H,27,31)/t18-,19-
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Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223157
PNG
(Methyl trans-4-(4-(2-(ethyl(o-tolyl)amino)-2-oxoet...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1ccccc1C
Show InChI InChI=1S/C26H31N3O4S/c1-4-28(20-8-6-5-7-17(20)2)24(30)16-29-21-13-14-34-23(21)15-22(29)25(31)27-19-11-9-18(10-12-19)26(32)33-3/h5-8,13-15,18-19H,4,9-12,16H2,1-3H3,(H,27,31)/t18-,19-
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Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223170
PNG
(Methyl trans-4-(6-(2-(ethyl(m-tolyl)amino)-2-oxoet...)
Show SMILES CCN(C(=O)Cn1c(cc2ccsc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1
Show InChI InChI=1S/C26H31N3O4S/c1-4-28(21-7-5-6-17(2)14-21)23(30)16-29-22(15-19-12-13-34-25(19)29)24(31)27-20-10-8-18(9-11-20)26(32)33-3/h5-7,12-15,18,20H,4,8-11,16H2,1-3H3,(H,27,31)/t18-,20-
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Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223173
PNG
(4-(2-(Ethyl(m-tolyl)amino)-2-oxoethyl)-N-(trans-4-...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCO)c1cccc(C)c1
Show InChI InChI=1S/C27H34N4O4S/c1-3-30(21-6-4-5-18(2)15-21)25(33)17-31-22-11-14-36-24(22)16-23(31)27(35)29-20-9-7-19(8-10-20)26(34)28-12-13-32/h4-6,11,14-16,19-20,32H,3,7-10,12-13,17H2,1-2H3,(H,28,34)(H,29,35)
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Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223175
PNG
(4-(trans-4-(4-(2-(Ethyl(m-tolyl)amino)-2-oxoethyl)...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCCC(O)=O)c1cccc(C)c1
Show InChI InChI=1S/C29H36N4O5S/c1-3-32(22-7-4-6-19(2)16-22)26(34)18-33-23-13-15-39-25(23)17-24(33)29(38)31-21-11-9-20(10-12-21)28(37)30-14-5-8-27(35)36/h4,6-7,13,15-17,20-21H,3,5,8-12,14,18H2,1-2H3,(H,30,37)(H,31,38)(H,35,36)
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Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223139
PNG
(Methyl 4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-4H-t...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)OC)c1cccc(C)c1
Show InChI InChI=1S/C19H20N2O3S/c1-4-20(14-7-5-6-13(2)10-14)18(22)12-21-15-8-9-25-17(15)11-16(21)19(23)24-3/h5-11H,4,12H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223144
PNG
(N-ethyl-2-(5-(pyrrolidine-1-carbonyl)-4H-thieno[3,...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N1CCCC1)c1cccc(C)c1
Show InChI InChI=1S/C22H25N3O2S/c1-3-24(17-8-6-7-16(2)13-17)21(26)15-25-18-9-12-28-20(18)14-19(25)22(27)23-10-4-5-11-23/h6-9,12-14H,3-5,10-11,15H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223158
PNG
(Methyl trans-4-(4-(2-(ethyl(p-tolyl)amino)-2-oxoet...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1ccc(C)cc1
Show InChI InChI=1S/C26H31N3O4S/c1-4-28(20-11-5-17(2)6-12-20)24(30)16-29-21-13-14-34-23(21)15-22(29)25(31)27-19-9-7-18(8-10-19)26(32)33-3/h5-6,11-15,18-19H,4,7-10,16H2,1-3H3,(H,27,31)/t18-,19-
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n/an/a 1.30E+3n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223155
PNG
(Methyl-trans-4-(4-(2-(hexyl(m-tolyl)amino)-2-oxoet...)
Show SMILES CCCCCCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1
Show InChI InChI=1S/C30H39N3O4S/c1-4-5-6-7-16-32(24-10-8-9-21(2)18-24)28(34)20-33-25-15-17-38-27(25)19-26(33)29(35)31-23-13-11-22(12-14-23)30(36)37-3/h8-10,15,17-19,22-23H,4-7,11-14,16,20H2,1-3H3,(H,31,35)/t22-,23-
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n/an/a 2.50E+3n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223145
PNG
(N-ethyl-2-(5-(piperidine-1-carbonyl)-4H-thieno[3,2...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)N1CCCCC1)c1cccc(C)c1
Show InChI InChI=1S/C23H27N3O2S/c1-3-25(18-9-7-8-17(2)14-18)22(27)16-26-19-10-13-29-21(19)15-20(26)23(28)24-11-5-4-6-12-24/h7-10,13-15H,3-6,11-12,16H2,1-2H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223148
PNG
(4-(2-(Ethyl(m-tolyl)amino)-2-oxoethyl)-N-phenyl-4H...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)Nc1ccccc1)c1cccc(C)c1
Show InChI InChI=1S/C24H23N3O2S/c1-3-26(19-11-7-8-17(2)14-19)23(28)16-27-20-12-13-30-22(20)15-21(27)24(29)25-18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3,(H,25,29)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223153
PNG
(Methyl-trans-4-(4-(2-((2-(2-methoxyethoxy)ethyl)(m...)
Show SMILES COCCOCCN(C(=O)Cn1c(cc2sccc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1
Show InChI InChI=1S/C29H37N3O6S/c1-20-5-4-6-23(17-20)31(12-13-38-15-14-36-2)27(33)19-32-24-11-16-39-26(24)18-25(32)28(34)30-22-9-7-21(8-10-22)29(35)37-3/h4-6,11,16-18,21-22H,7-10,12-15,19H2,1-3H3,(H,30,34)/t21-,22-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223168
PNG
(Methyl trans-4-(1-(2-(ethyl(m-tolyl)amino)-2-oxoet...)
Show SMILES CCN(C(=O)Cn1c(cc2ccc(OC)cc12)C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1
Show InChI InChI=1S/C29H35N3O5/c1-5-31(23-8-6-7-19(2)15-23)27(33)18-32-25-17-24(36-3)14-11-21(25)16-26(32)28(34)30-22-12-9-20(10-13-22)29(35)37-4/h6-8,11,14-17,20,22H,5,9-10,12-13,18H2,1-4H3,(H,30,34)/t20-,22-
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n/an/a 3.40E+3n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223150
PNG
(Ethyl 2-(4-(4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)...)
Show SMILES CCOC(=O)Cc1ccc(NC(=O)c2cc3sccc3n2CC(=O)N(CC)c2cccc(C)c2)cc1
Show InChI InChI=1S/C28H29N3O4S/c1-4-30(22-8-6-7-19(3)15-22)26(32)18-31-23-13-14-36-25(23)17-24(31)28(34)29-21-11-9-20(10-12-21)16-27(33)35-5-2/h6-15,17H,4-5,16,18H2,1-3H3,(H,29,34)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223141
PNG
(4-(2-(Ethyl(m-tolyl)amino)-2-oxoethyl)-N-methyl-4H...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC)c1cccc(C)c1
Show InChI InChI=1S/C19H21N3O2S/c1-4-21(14-7-5-6-13(2)10-14)18(23)12-22-15-8-9-25-17(15)11-16(22)19(24)20-3/h5-11H,4,12H2,1-3H3,(H,20,24)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223154
PNG
(N-cyclohexyl-4-(2-(hexyl(m-tolyl)amino)-2-oxoethyl...)
Show SMILES CCCCCCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCCCC1)c1cccc(C)c1
Show InChI InChI=1S/C28H37N3O2S/c1-3-4-5-9-16-30(23-14-10-11-21(2)18-23)27(32)20-31-24-15-17-34-26(24)19-25(31)28(33)29-22-12-7-6-8-13-22/h10-11,14-15,17-19,22H,3-9,12-13,16,20H2,1-2H3,(H,29,33)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223166
PNG
(Methyl trans-4-(1-(2-(ethyl(m-tolyl)amino)-2-oxoet...)
Show SMILES CCN(C(=O)Cn1cccc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)OC)c1cccc(C)c1
Show InChI InChI=1S/C24H31N3O4/c1-4-27(20-8-5-7-17(2)15-20)22(28)16-26-14-6-9-21(26)23(29)25-19-12-10-18(11-13-19)24(30)31-3/h5-9,14-15,18-19H,4,10-13,16H2,1-3H3,(H,25,29)/t18-,19-
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n/an/a 7.70E+3n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223149
PNG
(Methyl 3-(4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-4...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)Nc1cccc(c1)C(=O)OC)c1cccc(C)c1
Show InChI InChI=1S/C26H25N3O4S/c1-4-28(20-10-5-7-17(2)13-20)24(30)16-29-21-11-12-34-23(21)15-22(29)25(31)27-19-9-6-8-18(14-19)26(32)33-3/h5-15H,4,16H2,1-3H3,(H,27,31)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223140
PNG
(4-(2-(Ethyl(m-tolyl)amino)-2-oxoethyl)-4H-thieno[3...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(O)=O)c1cccc(C)c1
Show InChI InChI=1S/C18H18N2O3S/c1-3-19(13-6-4-5-12(2)9-13)17(21)11-20-14-7-8-24-16(14)10-15(20)18(22)23/h4-10H,3,11H2,1-2H3,(H,22,23)
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n/an/a 1.64E+4n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223152
PNG
(N-cyclohexyl-4-(2-((2-(2-methoxyethoxy)ethyl)(m-to...)
Show SMILES COCCOCCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCCCC1)c1cccc(C)c1
Show InChI InChI=1S/C27H35N3O4S/c1-20-7-6-10-22(17-20)29(12-13-34-15-14-33-2)26(31)19-30-23-11-16-35-25(23)18-24(30)27(32)28-21-8-4-3-5-9-21/h6-7,10-11,16-18,21H,3-5,8-9,12-15,19H2,1-2H3,(H,28,32)
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n/an/a 1.65E+4n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223174
PNG
(N-(trans-4-((2-(dimethylamino)ethyl)carbamoyl)cycl...)
Show SMILES CCN(C(=O)Cn1c(cc2sccc12)C(=O)NC1CCC(CC1)C(=O)NCCN(C)C)c1cccc(C)c1
Show InChI InChI=1S/C29H39N5O3S/c1-5-33(23-8-6-7-20(2)17-23)27(35)19-34-24-13-16-38-26(24)18-25(34)29(37)31-22-11-9-21(10-12-22)28(36)30-14-15-32(3)4/h6-8,13,16-18,21-22H,5,9-12,14-15,19H2,1-4H3,(H,30,36)(H,31,37)
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n/an/a 1.78E+4n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223159
PNG
(Methyl trans-4-(4-(2-(6-methyl-3,4-dihydroquinolin...)
Show SMILES COC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2sccc2n1CC(=O)N1CCCc2cc(C)ccc12
Show InChI InChI=1S/C27H31N3O4S/c1-17-5-10-21-19(14-17)4-3-12-29(21)25(31)16-30-22-11-13-35-24(22)15-23(30)26(32)28-20-8-6-18(7-9-20)27(33)34-2/h5,10-11,13-15,18,20H,3-4,6-9,12,16H2,1-2H3,(H,28,32)/t18-,20-
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n/an/a 2.02E+4n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
NanoLuc luciferase (Nluc)


(Oplophorus gracilirostris (Luminous shrimp))
BDBM223151
PNG
(N-cyclohexyl-4-(2-oxo-2-(m-tolylamino)ethyl)-4H-th...)
Show SMILES Cc1cccc(NC(=O)Cn2c(cc3sccc23)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C22H25N3O2S/c1-15-6-5-9-17(12-15)23-21(26)14-25-18-10-11-28-20(18)13-19(25)22(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,23,26)(H,24,27)
PDB

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n/an/a 4.52E+4n/an/an/an/an/an/a



Promega Biosciences LLC



Assay Description
NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3 dilution series of each inhibitor was ...


ACS Chem Biol 12: 1028-1037 (2017)


Article DOI: 10.1021/acschembio.6b01129
BindingDB Entry DOI: 10.7270/Q2SF2V1S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%