Compile Data Set for Download or QSAR
Found 27 Enz. Inhib. hit(s) with Target = 'ATPase family AAA domain-containing protein 2B'
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098311(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1
Affinity DataKi:  40nMAssay Description:Binding affinity to ATAD2B (unknown origin) by BROMOscan panel based assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50504159(CHEMBL4583297)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)
Affinity DataIC50: 501nMAssay Description:Displacement of biotinylated H4 peptide from ATAD2B bromodomain (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50028142(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
Affinity DataIC50: 3.16E+4nMAssay Description:Inhibition of human ATAD2B by BROMOscan assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50249810(CHEMBL4102050)
Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O
Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human ATAD2B expressed in Escherichia coli BL21 after 1 hr by BROMOscan assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50249797(CHEMBL4059509)
Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O
Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human ATAD2B expressed in Escherichia coli BL21 after 1 hr by BROMOscan assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM249277(US10017501, Compound 1020-18 | US9458145, 1020-18)
Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1
Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28)
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system after 1 hr by bromoscan assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50514857(CHEMBL4449894)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)ccc1Br
Show InChI InChI=1S/C20H25BrN4O5S/c1-12-7-8-24(10-12)31(29,30)16-9-14(5-6-15(16)21)22-17(26)11-25-18(27)20(2,13-3-4-13)23-19(25)28/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3,(H,22,26)(H,23,28)/t12-,20-/m0/s1
Affinity DataKd:  20nMAssay Description:Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50539801(CHEMBL4648912)
Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O
Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37)
Affinity DataKd: <1nMAssay Description:Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50547685(CHEMBL4751427)
Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(O)=O
Show InChI InChI=1S/C48H87N21O16/c1-25(39(77)68-32(13-9-19-58-48(54)55)44(82)64-26(2)46(84)85)63-43(81)30(10-4-6-16-49)66-36(74)21-59-35(73)20-61-42(80)33(14-15-34(51)72)69-45(83)31(11-5-7-17-56-27(3)71)67-38(76)23-62-41(79)29(12-8-18-57-47(52)53)65-37(75)22-60-40(78)28(50)24-70/h25-26,28-33,70H,4-24,49-50H2,1-3H3,(H2,51,72)(H,56,71)(H,59,73)(H,60,78)(H,61,80)(H,62,79)(H,63,81)(H,64,82)(H,65,75)(H,66,74)(H,67,76)(H,68,77)(H,69,83)(H,84,85)(H4,52,53,57)(H4,54,55,58)/t25-,26-,28-,29-,30-,31-,32-,33-/m0/s1
Affinity DataKd:  4.25E+4nMAssay Description:Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysisMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50547686(CHEMBL4786330)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C54H97N21O18/c1-30(2)20-38(52(91)69-27-45(84)72-34(12-5-8-16-55)48(87)65-21-39(78)62-23-41(80)70-31(3)53(92)93)75-46(85)28-68-50(89)35(13-6-9-17-56)71-42(81)24-63-40(79)22-66-49(88)36(14-7-10-18-60-32(4)77)73-44(83)26-67-51(90)37(15-11-19-61-54(58)59)74-43(82)25-64-47(86)33(57)29-76/h30-31,33-38,76H,5-29,55-57H2,1-4H3,(H,60,77)(H,62,78)(H,63,79)(H,64,86)(H,65,87)(H,66,88)(H,67,90)(H,68,89)(H,69,91)(H,70,80)(H,71,81)(H,72,84)(H,73,83)(H,74,82)(H,75,85)(H,92,93)(H4,58,59,61)/t31-,33-,34-,35-,36-,37-,38-/m0/s1
Affinity DataKd:  5.20E+3nMAssay Description:Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysisMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50547687(CHEMBL4750026)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(O)=O
Show InChI InChI=1S/C39H71N15O13/c1-22(2)15-28(38(66)67)54-33(61)20-50-36(64)25(9-4-6-12-40)51-30(58)17-46-29(57)16-48-35(63)26(10-5-7-13-44-23(3)56)52-32(60)19-49-37(65)27(11-8-14-45-39(42)43)53-31(59)18-47-34(62)24(41)21-55/h22,24-28,55H,4-21,40-41H2,1-3H3,(H,44,56)(H,46,57)(H,47,62)(H,48,63)(H,49,65)(H,50,64)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,66,67)(H4,42,43,45)/t24-,25-,26-,27-,28-/m0/s1
Affinity DataKd:  4.80E+4nMAssay Description:Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysisMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50547688(CHEMBL4751374)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(O)=O
Show InChI InChI=1S/C39H71N15O13/c1-22(2)15-28(38(66)67)54-33(61)20-50-36(64)26(10-5-7-13-44-23(3)56)51-30(58)17-46-29(57)16-48-35(63)25(9-4-6-12-40)52-32(60)19-49-37(65)27(11-8-14-45-39(42)43)53-31(59)18-47-34(62)24(41)21-55/h22,24-28,55H,4-21,40-41H2,1-3H3,(H,44,56)(H,46,57)(H,47,62)(H,48,63)(H,49,65)(H,50,64)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,66,67)(H4,42,43,45)/t24-,25-,26-,27-,28-/m0/s1
Affinity DataKd:  1.16E+6nMAssay Description:Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysisMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50547689(CHEMBL4762063)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C55H101N21O16/c1-32(2)24-40(74-47(84)31-68-51(88)36(15-6-10-20-57)72-45(82)29-65-43(80)27-66-49(86)35(14-5-9-19-56)71-41(78)25-59)52(89)69-30-46(83)73-37(17-8-12-22-62-34(4)77)50(87)67-26-42(79)64-28-44(81)70-33(3)48(85)75-38(16-7-11-21-58)53(90)76-39(54(91)92)18-13-23-63-55(60)61/h32-33,35-40H,5-31,56-59H2,1-4H3,(H,62,77)(H,64,79)(H,65,80)(H,66,86)(H,67,87)(H,68,88)(H,69,89)(H,70,81)(H,71,78)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,76,90)(H,91,92)(H4,60,61,63)/t33-,35-,36-,37-,38-,39-,40-/m0/s1
Affinity DataKd:  5.05E+4nMAssay Description:Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysisMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50547690(CHEMBL4795500)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C54H97N21O18/c1-30(2)20-38(52(91)69-27-45(84)73-36(14-7-10-18-60-32(4)77)49(88)66-21-39(78)62-23-41(80)70-31(3)53(92)93)75-46(85)28-68-50(89)35(13-6-9-17-56)71-42(81)24-63-40(79)22-65-48(87)34(12-5-8-16-55)72-44(83)26-67-51(90)37(15-11-19-61-54(58)59)74-43(82)25-64-47(86)33(57)29-76/h30-31,33-38,76H,5-29,55-57H2,1-4H3,(H,60,77)(H,62,78)(H,63,79)(H,64,86)(H,65,87)(H,66,88)(H,67,90)(H,68,89)(H,69,91)(H,70,80)(H,71,81)(H,72,83)(H,73,84)(H,74,82)(H,75,85)(H,92,93)(H4,58,59,61)/t31-,33-,34-,35-,36-,37-,38-/m0/s1
Affinity DataKd:  6.85E+5nMAssay Description:Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysisMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50547691(CHEMBL4792431)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(O)=O
Show InChI InChI=1S/C41H73N15O14/c1-23(2)16-30(40(69)70)56-35(64)21-52-38(67)28(11-6-8-14-46-25(4)59)53-32(61)18-48-31(60)17-50-37(66)27(10-5-7-13-45-24(3)58)54-34(63)20-51-39(68)29(12-9-15-47-41(43)44)55-33(62)19-49-36(65)26(42)22-57/h23,26-30,57H,5-22,42H2,1-4H3,(H,45,58)(H,46,59)(H,48,60)(H,49,65)(H,50,66)(H,51,68)(H,52,67)(H,53,61)(H,54,63)(H,55,62)(H,56,64)(H,69,70)(H4,43,44,47)/t26-,27-,28-,29-,30-/m0/s1
Affinity DataKd:  2.81E+4nMAssay Description:Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysisMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50547692(CHEMBL4748520)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C56H99N21O19/c1-31(2)21-40(54(94)71-28-47(87)75-38(15-8-11-19-62-34(5)80)51(91)67-22-41(81)64-24-43(83)72-32(3)55(95)96)77-48(88)29-70-52(92)36(13-6-9-17-57)73-44(84)25-65-42(82)23-68-50(90)37(14-7-10-18-61-33(4)79)74-46(86)27-69-53(93)39(16-12-20-63-56(59)60)76-45(85)26-66-49(89)35(58)30-78/h31-32,35-40,78H,6-30,57-58H2,1-5H3,(H,61,79)(H,62,80)(H,64,81)(H,65,82)(H,66,89)(H,67,91)(H,68,90)(H,69,93)(H,70,92)(H,71,94)(H,72,83)(H,73,84)(H,74,86)(H,75,87)(H,76,85)(H,77,88)(H,95,96)(H4,59,60,63)/t32-,35-,36-,37-,38-,39-,40-/m0/s1
Affinity DataKd:  1.87E+4nMAssay Description:Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysisMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50547693(CHEMBL4794843)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Affinity DataKd:  3.44E+4nMAssay Description:Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysisMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50547694(CHEMBL4748267)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O
Affinity DataKd:  3.57E+4nMAssay Description:Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysisMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50547695(CHEMBL4762443)
Show SMILES CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O
Affinity DataKd:  2.14E+5nMAssay Description:Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysisMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098305(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Affinity DataKd:  167nMAssay Description:Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysisMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50560174(GSK789)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3ccco3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C26H33N5O3/c1-16-13-18-19(22-9-6-12-34-22)14-27-24(23(18)30-25(16)32)29-21-10-11-31(2)15-20(21)26(33)28-17-7-4-3-5-8-17/h6,9,12-14,17,20-21H,3-5,7-8,10-11,15H2,1-2H3,(H,27,29)(H,28,33)(H,30,32)/t20-,21-/m1/s1
Affinity DataKd:  1.58E+4nMAssay Description:Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50453949(CHEMBL4208820 | US11247989, Example 87)
Show SMILES CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1
Show InChI InChI=1S/C29H30N6O3/c1-18(36)34-11-8-27-24(17-34)28(33-35(27)21-9-12-38-13-10-21)22-5-3-4-19-14-26(32-16-23(19)22)20-6-7-25(31-15-20)29(37)30-2/h3-7,14-16,21H,8-13,17H2,1-2H3,(H,30,37)
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM179481(US9675697, Cpd. No. 73)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21
Show InChI InChI=1S/C26H21N5O2/c1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-10-27-20-8-6-5-7-16(17)20/h5-12H,1-4H3,(H,28,29,30)
Affinity DataKd: >4.00E+3nMAssay Description:Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOscan assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50366670(CHEMBL4173488)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21
Show InChI InChI=1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28)
Affinity DataKd: >5.00E+3nMAssay Description:Binding affinity to human ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOScan assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098311(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1
Affinity DataKd:  100nMAssay Description:Binding affinity to ATAD2B in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50584925(CHEMBL5079885)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H]2Cc3ccccc3[C@H]1N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1
Show InChI InChI=1S/C30H39FN8O2/c1-17(2)25-26-21-9-7-6-8-19(21)14-24(28(40)33-25)38(26)29(41)23-15-22(27-35-34-18(3)39(27)36-23)32-20-10-12-37(13-11-20)16-30(4,5)31/h6-9,15,17,20,24-26,32H,10-14,16H2,1-5H3,(H,33,40)/t24-,25+,26+/m0/s1
Affinity DataKd:  7.90nMAssay Description:Binding affinity to human ATAD2B bromodomain assessed as dissociation constant by BROMOscan methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50092310(CHEMBL3581661 | US9675697, Cpd. No. 23)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21
Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to biotinylated ATAD2B (953 to 1086 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometr...More data for this Ligand-Target Pair