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Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'begum' and Initial = 'a'   
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
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50582304
PNG
(CHEMBL5072213)
Show SMILES OCCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
PDB
MMDB

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n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human hepatic CYP1A2 expressed in baculovirus insect cell expression system in presence of CEC substrate measured by fluore...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582301
PNG
(CHEMBL5091256)
Show SMILES CN(C)CCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50019315
PNG
(CHEMBL3289420)
Show SMILES O=C(NCCN1CCCCC1)c1cccn2c1nc1cc3ccccc3cc1c2=O
Show InChI InChI=1S/C24H24N4O2/c29-23(25-10-14-27-11-4-1-5-12-27)19-9-6-13-28-22(19)26-21-16-18-8-3-2-7-17(18)15-20(21)24(28)30/h2-3,6-9,13,15-16H,1,4-5,10-12,14H2,(H,25,29)
PDB

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CHEMBL
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Article
PubMed
n/an/a 180n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50582293
PNG
(CHEMBL5075517)
Show SMILES O=C(NC1CNC1)c1cccn2c1nc1c3ccccc3ccc1c2=O
PDB
MMDB

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TBA

Assay Description
Inhibition of recombinant human hepatic CYP1A2 expressed in baculovirus insect cell expression system in presence of CEC substrate measured by fluore...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582305
PNG
(CHEMBL5091818)
Show SMILES O=C(NCCN1CCCC1)c1cccn2c1nc1c3ccccc3ccc1c2=O
PDB

KEGG

UniProtKB/SwissProt

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MCE
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PC sid
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n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50582302
PNG
(CHEMBL5072152)
Show SMILES CNCCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
PDB
MMDB

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TBA

Assay Description
Inhibition of recombinant human hepatic CYP1A2 expressed in baculovirus insect cell expression system in presence of CEC substrate measured by fluore...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50019324
PNG
(CHEMBL3289398)
Show SMILES CN(C)CCNC(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O
Show InChI InChI=1S/C21H20N4O2/c1-24(2)11-9-22-20(26)16-8-5-10-25-19(16)23-18-13-15-7-4-3-6-14(15)12-17(18)21(25)27/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,26)
PDB

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n/an/a 330n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50019316
PNG
(CHEMBL3289421)
Show SMILES O=C(NCCN1CCCC1)c1cccn2c1nc1cc3ccccc3cc1c2=O
Show InChI InChI=1S/C23H22N4O2/c28-22(24-9-13-26-10-3-4-11-26)18-8-5-12-27-21(18)25-20-15-17-7-2-1-6-16(17)14-19(20)23(27)29/h1-2,5-8,12,14-15H,3-4,9-11,13H2,(H,24,28)
PDB

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Article
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n/an/a 370n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582313
PNG
(CHEMBL5093823)
Show SMILES FC1(F)Oc2cc3nc4c(cccn4c(=O)c3cc2O1)C(=O)NCCN1CCCC1
PDB

KEGG

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n/an/a 420n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582302
PNG
(CHEMBL5072152)
Show SMILES CNCCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 470n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50582300
PNG
(CHEMBL5074659)
Show SMILES CCN(CC)CCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
PDB
MMDB

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TBA

Assay Description
Inhibition of recombinant human hepatic CYP1A2 expressed in baculovirus insect cell expression system in presence of CEC substrate measured by fluore...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582314
PNG
(CHEMBL5076121)
Show SMILES O=C(NCCN1CCCC1)c1cccn2c1nc1cc3OCOc3cc1c2=O
PDB

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n/an/a 540n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582333
PNG
(CHEMBL5088110)
Show SMILES O=C(NCC1CCCCN1)c1cccn2c1nc1cc3ccccc3cc1c2=O
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC sid
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n/an/a 590n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582320
PNG
(CHEMBL5089364)
Show SMILES OC1(O)CCN(CCNC(=O)c2cccn3c2nc2cc4ccccc4cc2c3=O)CC1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
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n/an/a 600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582300
PNG
(CHEMBL5074659)
Show SMILES CCN(CC)CCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582299
PNG
(CHEMBL5091051)
Show SMILES O=C(NCCN1CCCCC1)c1cccn2c1nc1c3ccccc3ccc1c2=O
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC sid
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n/an/a 640n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582330
PNG
(CHEMBL5094886)
Show SMILES OCC1CCCC(CNC(=O)c2cccn3c2nc2cc4ccccc4cc2c3=O)N1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 650n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582319
PNG
(CHEMBL5082214)
Show SMILES O=C(NCCN1CCC(CC1)C#N)c1cccn2c1nc1cc3ccccc3cc1c2=O
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 740n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582334
PNG
(CHEMBL5093028)
Show SMILES O=C(NCC1CCCN1)c1cccn2c1nc1cc3ccccc3cc1c2=O
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC sid
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n/an/a 780n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582321
PNG
(CHEMBL5090345)
Show SMILES FC1CCN(CCNC(=O)c2cccn3c2nc2cc4ccccc4cc2c3=O)CC1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 780n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582332
PNG
(CHEMBL5080399)
Show SMILES CC(NC(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O)C1CCCCN1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC sid
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n/an/a 920n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582328
PNG
(CHEMBL5080842)
Show SMILES CCN1CCCCC1CNC(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC sid
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n/an/a 990n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582331
PNG
(CHEMBL5071620)
Show SMILES CN1CCOCC1CNC(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582316
PNG
(CHEMBL5077311)
Show SMILES O=C(NCCN1CCCC1)c1cccn2c1nc1cc3OCCOc3cc1c2=O
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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Article
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n/an/a 1.04E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582312
PNG
(CHEMBL5084657)
Show SMILES Cc1cc2nc3c(cccn3c(=O)c2cc1C)C(=O)NCCN1CCCC1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.16E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582315
PNG
(CHEMBL5094505)
Show SMILES O=C(NCCN1CCCC1)c1cccn2c1nc1cc3CCCCc3cc1c2=O
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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UniChem
Article
PubMed
n/an/a 1.39E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
Listeriolysin regulatory protein


(Listeria monocytogenes serovar 1/2a (strain ATCC B...)
BDBM50453142
PNG
(CHEMBL4216912)
Show SMILES CN(C)c1c2SCC(C(O)=O)n2c(=O)cc1Cc1ccc(C)c2ccccc12
Show InChI InChI=1S/C22H22N2O3S/c1-13-8-9-14(17-7-5-4-6-16(13)17)10-15-11-19(25)24-18(22(26)27)12-28-21(24)20(15)23(2)3/h4-9,11,18H,10,12H2,1-3H3,(H,26,27)
PDB

UniProtKB/SwissProt

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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to Listeria monocytogenes 6-His-tagged PrfA expressed in Escherichia coli BL21 (DE3) pLysS assessed as inhibition of protein binding...


J Med Chem 61: 4165-4175 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00289
BindingDB Entry DOI: 10.7270/Q2T1566G
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582309
PNG
(CHEMBL5091868)
Show SMILES O=C(NCCN1CCCC1)c1cccn2c1nc1cc3ccccc3cc21
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
Listeriolysin regulatory protein


(Listeria monocytogenes serovar 1/2a (strain ATCC B...)
BDBM50453145
PNG
(CHEMBL4213989)
Show SMILES Cl.CN(C)c1c2SCC(C(O)=O)n2c(=O)cc1Cc1cccc2ccccc12
Show InChI InChI=1S/C21H20N2O3S.ClH/c1-22(2)19-15(10-14-8-5-7-13-6-3-4-9-16(13)14)11-18(24)23-17(21(25)26)12-27-20(19)23;/h3-9,11,17H,10,12H2,1-2H3,(H,25,26);1H
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to Listeria monocytogenes 6-His-tagged PrfA expressed in Escherichia coli BL21 (DE3) pLysS assessed as inhibition of protein binding...


J Med Chem 61: 4165-4175 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00289
BindingDB Entry DOI: 10.7270/Q2T1566G
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582296
PNG
(CHEMBL5089676)
Show SMILES F[C@@H]1CCN(CCNC(=O)c2cccn3c2nc2c4ccccc4ccc2c3=O)C1 |r|
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n/an/a 1.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50582296
PNG
(CHEMBL5089676)
Show SMILES F[C@@H]1CCN(CCNC(=O)c2cccn3c2nc2c4ccccc4ccc2c3=O)C1 |r|
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human hepatic CYP1A2 expressed in baculovirus insect cell expression system in presence of CEC substrate measured by fluore...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
Listeriolysin regulatory protein


(Listeria monocytogenes serovar 1/2a (strain ATCC B...)
BDBM50453144
PNG
(CHEMBL4215787)
Show SMILES CN(C)c1c2SCC(C(O)=O)n2c(=O)cc1Cc1cccc(C)c1C
Show InChI InChI=1S/C19H22N2O3S/c1-11-6-5-7-13(12(11)2)8-14-9-16(22)21-15(19(23)24)10-25-18(21)17(14)20(3)4/h5-7,9,15H,8,10H2,1-4H3,(H,23,24)
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to Listeria monocytogenes 6-His-tagged PrfA expressed in Escherichia coli BL21 (DE3) pLysS assessed as inhibition of protein binding...


J Med Chem 61: 4165-4175 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00289
BindingDB Entry DOI: 10.7270/Q2T1566G
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50582305
PNG
(CHEMBL5091818)
Show SMILES O=C(NCCN1CCCC1)c1cccn2c1nc1c3ccccc3ccc1c2=O
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n/an/a 3.64E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition on hERG expressed in HEK293 cells by Qpatch method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50582299
PNG
(CHEMBL5091051)
Show SMILES O=C(NCCN1CCCCC1)c1cccn2c1nc1c3ccccc3ccc1c2=O
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n/an/a 3.72E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition on hERG expressed in HEK293 cells by Qpatch method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50582300
PNG
(CHEMBL5074659)
Show SMILES CCN(CC)CCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
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n/an/a 3.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition on hERG expressed in HEK293 cells by Qpatch method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582329
PNG
(CHEMBL5091418)
Show SMILES CN1CCCC1CNC(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O
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n/an/a 3.94E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50582293
PNG
(CHEMBL5075517)
Show SMILES O=C(NC1CNC1)c1cccn2c1nc1c3ccccc3ccc1c2=O
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n/an/a 3.97E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition on hERG expressed in HEK293 cells by Qpatch method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582306
PNG
(CHEMBL5083095)
Show SMILES O=C(NCCN1CCCC1)c1cccn2c1nc1ccc3cnncc3c1c2=O
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n/an/a 4.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50582294
PNG
(CHEMBL5092554)
Show SMILES O=C(NCCCN1CCCC1)c1cccn2c1nc1c3ccccc3ccc1c2=O
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n/an/a 4.44E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition on hERG expressed in HEK293 cells by Qpatch method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50582297
PNG
(CHEMBL5082744)
Show SMILES F[C@H]1CCN(CCNC(=O)c2cccn3c2nc2c4ccccc4ccc2c3=O)C1 |r|
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n/an/a 4.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human hepatic CYP1A2 expressed in baculovirus insect cell expression system in presence of CEC substrate measured by fluore...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
Listeriolysin regulatory protein


(Listeria monocytogenes serovar 1/2a (strain ATCC B...)
BDBM50453146
PNG
(CHEMBL1204537)
Show SMILES OC(=O)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12
Show InChI InChI=1S/C22H19NO3S/c24-19-11-16(10-15-6-3-5-13-4-1-2-7-17(13)15)20(14-8-9-14)21-23(19)18(12-27-21)22(25)26/h1-7,11,14,18H,8-10,12H2,(H,25,26)/t18-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to Listeria monocytogenes 6-His-tagged PrfA expressed in Escherichia coli BL21 (DE3) pLysS assessed as inhibition of protein binding...


J Med Chem 61: 4165-4175 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00289
BindingDB Entry DOI: 10.7270/Q2T1566G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50582301
PNG
(CHEMBL5091256)
Show SMILES CN(C)CCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
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n/an/a 4.53E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition on hERG expressed in HEK293 cells by Qpatch method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582310
PNG
(CHEMBL5088652)
Show SMILES Oc1ccn2c(nc3cc4ccccc4cc3c2=O)c1C(=O)NCCN1CCCC1
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n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50582295
PNG
(CHEMBL5081532)
Show SMILES CN(C)CCCNC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
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n/an/a 5.57E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition on hERG expressed in HEK293 cells by Qpatch method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582326
PNG
(CHEMBL5080196)
Show SMILES FC1CCN(CCNC(=O)c2cccn3c2nc2cc4ccccc4cc2c3=O)C1
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n/an/a 5.75E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582308
PNG
(CHEMBL5089657)
Show SMILES O=C(NCCN1CCCC1)c1cccn2c1nc1cc3ccccc3nc21
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n/an/a 6.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase I subunit RPA1


(Homo sapiens (Human))
BDBM50582311
PNG
(CHEMBL5081206)
Show SMILES COc1cc2nc3c(cccn3c(=O)c2cc1OC)C(=O)NCCN1CCCC1
PDB

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n/an/a 6.86E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 7.00E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blo...


J Med Chem 58: 6507-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00544
BindingDB Entry DOI: 10.7270/Q2P84DP1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50582292
PNG
(CHEMBL5087053)
Show SMILES CN1CCC(CC1)NC(=O)c1cccn2c1nc1c3ccccc3ccc1c2=O
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n/an/a 7.39E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition on hERG expressed in HEK293 cells by Qpatch method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50582296
PNG
(CHEMBL5089676)
Show SMILES F[C@@H]1CCN(CCNC(=O)c2cccn3c2nc2c4ccccc4ccc2c3=O)C1 |r|
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n/an/a 8.26E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition on hERG expressed in HEK293 cells by Qpatch method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00660
BindingDB Entry DOI: 10.7270/Q2KW5KXW
More data for this
Ligand-Target Pair
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