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Compile Data Set for Download or QSAR

Found 37 hits of ic50 data for polymerid = 50006608   
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
RuvB-like 1


(Homo sapiens (Human))
BDBM50600238
PNG
(CHEMBL5178717)
Show SMILES Cc1ccc(Cc2c(C)nc3c(cnn3c2C)C(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1
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n/an/a 7.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50015299
PNG
(CHEMBL3263107)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(cc1)-c1c(O)c(c[nH]c1=O)-c1ccccc1 |r|
Show InChI InChI=1S/C28H24N4O3/c29-23(14-19-15-30-24-9-5-4-8-21(19)24)27(34)32-20-12-10-18(11-13-20)25-26(33)22(16-31-28(25)35)17-6-2-1-3-7-17/h1-13,15-16,23,30H,14,29H2,(H,32,34)(H2,31,33,35)/t23-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Universit£ de Bordeaux

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged pontin expressed in Escherichia coli BL21 assessed as reduction in inorganic phosphate release after 10 mi...


Bioorg Med Chem Lett 24: 2512-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.003
BindingDB Entry DOI: 10.7270/Q2GT5PQT
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50015299
PNG
(CHEMBL3263107)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(cc1)-c1c(O)c(c[nH]c1=O)-c1ccccc1 |r|
Show InChI InChI=1S/C28H24N4O3/c29-23(14-19-15-30-24-9-5-4-8-21(19)24)27(34)32-20-12-10-18(11-13-20)25-26(33)22(16-31-28(25)35)17-6-2-1-3-7-17/h1-13,15-16,23,30H,14,29H2,(H,32,34)(H2,31,33,35)/t23-/m0/s1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50126829
PNG
((E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl...)
Show SMILES CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3C=CC(C)(C)Oc3c(C(=O)C=Cc3ccccc3)c2O)c1O |w:26.26,c:16|
Show InChI InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3
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n/an/a 1.00E+4n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600236
PNG
(CHEMBL5199847)
Show SMILES CC1CN(CCN1c1ccc(C)cc1)C(=O)c1cnn2c(C)c(Cc3ccccc3Cl)c(C)nc12
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n/an/a 1.10E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM85674
PNG
(CAS_103177-37-3 | NSC_115100 | Pranlukast)
Show SMILES O=C(Nc1ccc2c(c1)oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C27H23N5O4/c33-23-17-25(26-29-31-32-30-26)36-24-16-20(11-14-22(23)24)28-27(34)19-9-12-21(13-10-19)35-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-14,16-17H,4-5,8,15H2,(H,28,34)(H,29,30,31,32)
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n/an/a 1.30E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50341989
PNG
(3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFUR...)
Show SMILES CCc1oc2cc(ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C26H19Br2N3O7S3/c1-2-21-23(24(32)14-11-19(27)25(33)20(28)12-14)18-8-7-17(13-22(18)38-21)41(36,37)30-15-3-5-16(6-4-15)40(34,35)31-26-29-9-10-39-26/h3-13,30,33H,2H2,1H3,(H,29,31)
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n/an/a 1.50E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50015300
PNG
(CHEMBL3263108)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(cc1)-c1c(O)c2ccccc2[nH]c1=O |r|
Show InChI InChI=1S/C26H22N4O3/c27-20(13-16-14-28-21-7-3-1-5-18(16)21)25(32)29-17-11-9-15(10-12-17)23-24(31)19-6-2-4-8-22(19)30-26(23)33/h1-12,14,20,28H,13,27H2,(H,29,32)(H2,30,31,33)/t20-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50015300
PNG
(CHEMBL3263108)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(cc1)-c1c(O)c2ccccc2[nH]c1=O |r|
Show InChI InChI=1S/C26H22N4O3/c27-20(13-16-14-28-21-7-3-1-5-18(16)21)25(32)29-17-11-9-15(10-12-17)23-24(31)19-6-2-4-8-22(19)30-26(23)33/h1-12,14,20,28H,13,27H2,(H,29,32)(H2,30,31,33)/t20-/m0/s1
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Universit£ de Bordeaux

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged pontin expressed in Escherichia coli BL21 assessed as reduction in inorganic phosphate release after 10 mi...


Bioorg Med Chem Lett 24: 2512-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.003
BindingDB Entry DOI: 10.7270/Q2GT5PQT
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600239
PNG
(CHEMBL5203235)
Show SMILES Cc1ccc(Cc2c(C)nc3c(cnn3c2C)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
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n/an/a 1.90E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a 2.40E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600233
PNG
(CHEMBL1982584)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc2n1
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n/an/a 2.60E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600234
PNG
(CHEMBL5181716)
Show SMILES O=C(C1CCN(CC1)c1nccn2nc(cc12)-c1ccccc1)N1CCN(CC1)c1ccccc1
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n/an/a 3.10E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600231
PNG
(CHEMBL5207433)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)C2=NCCCN2)cc1NC(=O)Nc1ccc(cc1)C1=NCCCN1 |t:17,38|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600235
PNG
(CHEMBL5198140)
Show SMILES C[C@H]1CN(CCN1c1ccc(C)cc1)C(=O)c1cnn2c(C)c(Cc3ccc(C)cc3)c(C)nc12 |r|
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n/an/a 6.50E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600244
PNG
(CHEMBL5176655)
Show SMILES COc1ccc(Cc2c(C)nc3c(cnn3c2C)C(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600245
PNG
(CHEMBL5170950)
Show SMILES Cc1cccc(Cc2c(C)nc3c(cnn3c2C)C(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600246
PNG
(CHEMBL5191827)
Show SMILES Cc1ccccc1Cc1c(C)nc2c(cnn2c1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600247
PNG
(CHEMBL5192504)
Show SMILES CC(C)c1ccc(Cc2c(C)nc3c(cnn3c2C)C(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600249
PNG
(CHEMBL5204197)
Show SMILES Cc1ccc(Cc2c(C)nc3c(cnn3c2C)C(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600250
PNG
(CHEMBL5171082)
Show SMILES Cc1ccc(Cc2c(C)nc3c(cnn3c2C)C(=O)N2CCN(CC2)c2cccc(c2)C(F)F)cc1
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600251
PNG
(CHEMBL5187068)
Show SMILES Cc1ccc(Cc2c(C)nc3c(cnn3c2C)C(=O)N2CCN(CC2)c2cccc(c2)C#N)cc1
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600252
PNG
(CHEMBL5185372)
Show SMILES Cc1ccc(Cc2c(C)nc3c(cnn3c2C)C(=O)N2CCN(CC2)c2cccc(F)c2)cc1
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600253
PNG
(CHEMBL5196007)
Show SMILES Cc1ccc(Cc2c(C)nc3c(cnn3c2C)C(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600254
PNG
(CHEMBL5176698)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)c1cnn2c(C)c(Cc3ccc(C)cc3)c(C)nc12
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600255
PNG
(CHEMBL5199961)
Show SMILES Cc1ccc(Cc2c(C)nc3c(cnn3c2C)C(=O)N2CCN(CC2)c2cccc(C)c2)cc1
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600256
PNG
(CHEMBL5208829)
Show SMILES CC(C)c1cccc(c1)N1CCN(CC1)C(=O)c1cnn2c(C)c(Cc3ccc(C)cc3)c(C)nc12
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600230
PNG
(CHEMBL5174379)
Show SMILES Cc1ccc2c3c1c1c(C)ccc4c1c(c1ccccc1c4=O)c3c1ccccc1c2=O
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a>6.60E+4n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600229
PNG
(CHEMBL5203675)
Show SMILES CCOc1cc(F)c(Cl)cc1C(=O)NCC(C)(C)CC(=O)Nc1c(COC)n2CCCc3ccccc3-n2c1=O
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600243
PNG
(CHEMBL5196000)
Show SMILES Cc1nc2c(cnn2c(C)c1Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600242
PNG
(CHEMBL5196595)
Show SMILES Cc1nc2c(cnn2c(C)c1Cc1ccc(F)cc1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600241
PNG
(CHEMBL5204205)
Show SMILES CCc1nc2c(cnn2c(CC)c1Cc1ccc(C)cc1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600240
PNG
(CHEMBL5184860)
Show SMILES CCc1nc2c(cnn2c(CC)c1Cc1ccccc1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600232
PNG
(CHEMBL5200888)
Show SMILES Oc1cccc(NC(=O)Nc2ccc(Cl)cc2[N+]([O-])=O)c1
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600237
PNG
(CHEMBL5193682)
Show SMILES Cc1nc2c(cnn2c(C)c1Cc1ccccc1Cl)C(=O)N1CCN(CC1)c1ccccn1
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair
RuvB-like 1


(Homo sapiens (Human))
BDBM50600248
PNG
(CHEMBL5184548)
Show SMILES Cc1nc2c(cnn2c(C)c1Cc1ccc(cc1)C(F)(F)F)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
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Citation and Details

Article DOI: 10.1016/j.bmc.2022.116726
BindingDB Entry DOI: 10.7270/Q21G0R9W
More data for this
Ligand-Target Pair