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Compile Data Set for Download or QSAR

Found 87 hits with Last Name = 'squires' and Initial = 'nh'   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270592
PNG
((S)-6-(((1-(1- (difluoromethyl) cyclopropyl)-1H-1,...)
Show SMILES Cn1ccc2c(cccc2c1=O)[C@H](Nc1cc(C#N)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C1(CC1)C(F)F |r|
PDB
MMDB

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UniChem
US Patent
n/an/a 1.20n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270591
PNG
((S)-3-(((8-chloro-4- (neopentylamino) quinazolin-6...)
Show SMILES Cc1c(cccc1[C@H](Nc1cc(Cl)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C1(CC1)C(F)F)C#N |r|
PDB
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US Patent
n/an/a 1.60n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270594
PNG
((S)-5-((1- (bicyclo[1.1.1]pentan- 1-yl)-1H-1,2,3- ...)
Show SMILES Cn1ccc2c(cccc2c1=O)[C@H](Nc1cc(Cl)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C12CC(C1)C2 |r|
PDB
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n/an/a 1.70n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270590
PNG
((S)-6-(((1-(1- (difluoromethyl) cyclopropyl)-1H-1,...)
Show SMILES Cc1nc(F)ccc1[C@H](Nc1cc(C#N)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C1(CC1)C(F)F |r|
PDB
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n/an/a 1.70n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270589
PNG
((S)-8-chloro-N6-((1- (1- (difluoromethyl) cyclopro...)
Show SMILES Cc1nc(F)ccc1[C@H](Nc1cc(Cl)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C1(CC1)C(F)F |r|
PDB
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KEGG

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n/an/a 1.90n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270582
PNG
((S)-6-(((1- cyclopropyl-1H- 1,2,3-triazol-4-yl)(4-...)
Show SMILES CC(C)(C)CNc1ncnc2c(cc(NC(c3cn(nn3)C3CC3)c3ccc(F)cc3)cc12)C#N
PDB
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n/an/a 2.10n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270587
PNG
((S)-6-(((2- chlorophenyl)(1- cyclopropyl-1H- 1,2,3...)
Show SMILES CC(C)(C)CNc1ncnc2c(cc(NC(c3cn(nn3)C3CC3)c3ccccc3Cl)cc12)C#N
PDB
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n/an/a 2.40n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270593
PNG
((S)-5-(((8-chloro-4- (neopentylamino) quinazolin-6...)
Show SMILES Cn1ccc2c(cccc2c1=O)[C@H](Nc1cc(Cl)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C1(CC1)C(F)F |r|
PDB
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n/an/a 2.40n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270575
PNG
((S)-3-((1- cyclopropyl-1H- 1,2,3-triazol-4- yl)((4...)
Show SMILES CC(C)(C)CNc1ncnc2ccc(NC(c3cn(nn3)C3CC3)c3cccc(c3)C#N)cc12
PDB
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n/an/a 2.60n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270583
PNG
((S)-8-bromo-N6-((1- cyclopropyl-1H- 1,2,3-triazol-...)
Show SMILES CC(C)(C)CNc1ncnc2c(Br)cc(NC(c3cn(nn3)C3CC3)c3ccc(F)cc3)cc12
PDB
MMDB

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n/an/a 2.60n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270584
PNG
((S)-8-chloro-N6-((1- (1- (fluoromethyl) cyclopropy...)
Show SMILES CC(C)(C)CNc1ncnc2c(Cl)cc(NC(c3cn(nn3)C3(CF)CC3)c3ccc(F)cc3)cc12
PDB
MMDB

KEGG

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n/an/a 3.10n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270588
PNG
((S)-6-(((2- chlorophenyl)(1-(1- cyanocyclopropyl)-...)
Show SMILES CC(C)(C)CNc1ncnc2c(cc(NC(c3cn(nn3)C3(CC3)C#N)c3ccccc3Cl)cc12)C#N
PDB
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n/an/a 3.30n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270585
PNG
((S)-6- ((benzo[d]thiazol-7- yl(1-(1- (trifluoromet...)
Show SMILES CC(C)(C)CNc1ncnc2c(cc(N[C@H](c3cn(nn3)C3(CC3)C(F)(F)F)c3cccc4ncsc34)cc12)C#N |r|
PDB
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n/an/a 3.30n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270577
PNG
((S)-8-chloro-N6-((2- chlorophenyl)(1- cyclopropyl-...)
Show SMILES CC(C)(C)CNc1ncnc2c(Cl)cc(NC(c3cn(nn3)C3CC3)c3ccccc3Cl)cc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 4.80n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270569
PNG
((S)-N6-((1- cyclopropyl-1H- 1,2,3-triazol-4-yl)(4-...)
Show SMILES CC(C)(C)CNc1ncnc2ccc(NC(c3cn(nn3)C3CC3)c3ccc(F)cc3)cc12
PDB
MMDB

KEGG

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n/an/a 5n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270598
PNG
((S)-8-chloro-N4-(3- chloro-4- fluorophenyl)-N6- ((...)
Show SMILES CCN1CCC(CC1)n1cc(nn1)[C@@H](Nc1cc(Cl)c2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccccc1 |r|
PDB
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n/an/a 5.90n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270570
PNG
((S)-N6-((1- cyclopropyl-1H- 1,2,3-triazol-4-yl)(4-...)
Show SMILES CC(C)(C)CNc1ncnc2ccc(N[C@H](c3cn(nn3)C3CC3)c3ccc(F)cc3)cc12 |r|
PDB
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KEGG

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n/an/a 7.70n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270586
PNG
((S)-N6- (benzo[d]thiazol-7- yl(1-(1- (trifluoromet...)
Show SMILES CC(C)(C)CNc1ncnc2c(Br)cc(N[C@H](c3cn(nn3)C3(CC3)C(F)(F)F)c3cccc4ncsc34)cc12 |r|
PDB
MMDB

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n/an/a 8n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270603
PNG
((S)-8-chloro-N4-(3- chloro-4- fluorophenyl)-N6- (p...)
Show SMILES Fc1ccc(Nc2ncnc3c(Cl)cc(N[C@H](c4cn(nn4)C4CCNCC4)c4ccccc4)cc23)cc1Cl |r|
PDB
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n/an/a 8.30n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270581
PNG
((S)-8-chloro-N6-((4- fluorophenyl)(1-(1- (trifluor...)
Show SMILES CC(C)(C)CNc1ncnc2c(Cl)cc(NC(c3cn(nn3)C3(CC3)C(F)(F)F)c3ccc(F)cc3)cc12
PDB
MMDB

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n/an/a 10n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270571
PNG
((S)-N6-((1- cyclopropyl-1H- 1,2,3-triazol-4-yl)(4-...)
Show SMILES CC1(CNc2ncnc3ccc(NC(c4cn(nn4)C4CC4)c4ccc(F)cc4)cc23)CCOCC1
PDB
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n/an/a 11n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270576
PNG
((S)-N6-((2- chlorophenyl)(1- cyclopropyl-1H- 1,2,3...)
Show SMILES CC(C)(C)CNc1ncnc2ccc(N[C@H](c3cn(nn3)C3CC3)c3ccccc3Cl)cc12 |r|
PDB
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US Patent
n/an/a 13n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270578
PNG
((S)-2-(4-(((8-chloro- 4- (neopentylamino) quinazol...)
Show SMILES CC(C)(C)CNc1ncnc2c(Cl)cc(NC(c3cn(CC(O)=O)nn3)c3ccccc3Cl)cc12
PDB
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n/an/a 13n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270604
PNG
((S)-8-chloro-N4-(3- chloro-4- fluorophenyl)-N6- ((...)
Show SMILES CCN1CCC(CC1)n1cc(nn1)[C@@H](Nc1cc(Cl)c2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccc(Cl)cc1 |r|
PDB
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n/an/a 17n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270597
PNG
(8-chloro-N4-(3- chloro-4- fluorophenyl)-N6- ((1-(1...)
Show SMILES CCN1CCC(CC1)n1cc(nn1)C(Nc1cc(Cl)c2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccccc1
PDB
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n/an/a 19n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270596
PNG
(8-chloro-N4-(3- chloro-4- fluorophenyl)-N6- (pheny...)
Show SMILES Fc1ccc(Nc2ncnc3c(Cl)cc(NC(c4cn(nn4)C4CCNCC4)c4ccccc4)cc23)cc1Cl
PDB
MMDB

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n/an/a 28n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270572
PNG
(N6-((S)-(1- cyclopropyl-1H- 1,2,3-triazol-4-yl)(4-...)
Show SMILES CC[C@@H](Nc1ncnc2ccc(NC(c3cn(nn3)C3CC3)c3ccc(F)cc3)cc12)c1ccccc1 |r|
PDB
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n/an/a 43n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270579
PNG
((R)-4-((8-chloro-6- (((S)-(1-cyclopropyl- 1H-1,2,3...)
Show SMILES Fc1ccc(cc1)C(Nc1cc(Cl)c2ncnc(N[C@H](CCC#N)c3ccccc3)c2c1)c1cn(nn1)C1CC1 |r|
PDB
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n/an/a 46n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270600
PNG
((S)-N4-(3-chloro-4- fluorophenyl)-N6- ((4-chloroph...)
Show SMILES Fc1ccc(Nc2ncnc3ccc(N[C@H](c4cn(nn4)C4CCNCC4)c4ccc(Cl)cc4)cc23)cc1Cl |r|
PDB
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n/an/a 49n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270573
PNG
(3-((6-(((S)-(1- cyclopropyl-1H- 1,2,3-triazol-4-yl...)
Show SMILES Fc1ccc(cc1)C(Nc1ccc2ncnc(NC(CC#N)c3ccccc3)c2c1)c1cn(nn1)C1CC1
PDB
MMDB

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n/an/a 53n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270599
PNG
((S)-N6-((1-(1-(tert- butyl)piperidin-4- yl)-1H-1,2...)
Show SMILES CC(C)(C)N1CCC(CC1)n1cc(nn1)[C@@H](Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccc(Cl)cc1 |r|
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n/an/a 72n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270605
PNG
((S)-N6-((1- cyclopropyl-1H- 1,2,3-triazol-4-yl)(4-...)
Show SMILES Fc1ccc(cc1)C(Nc1ccc2ncnc(Nc3cnc(F)c(F)c3)c2c1)c1cn(nn1)C1CC1
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n/an/a 74n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33410
PNG
(CHEMBL16755 | N-hydroxyisoquinolinedione, 2)
Show SMILES ON1C(=O)Cc2ccccc2C1=O
Show InChI InChI=1S/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2
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n/an/a 135n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270580
PNG
((R)-4-((8-chloro-6- (((S)-(4- fluorophenyl)(1-(1- ...)
Show SMILES Fc1ccc(cc1)C(Nc1cc(Cl)c2ncnc(N[C@H](CCC#N)c3ccccc3)c2c1)c1cn(nn1)C1(CC1)C(F)(F)F |r|
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n/an/a 137n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33419
PNG
(pyrimidinol carboxylic acid, 11)
Show SMILES OC(=O)c1nc(Cc2c(Br)sc3ccc(Cl)cc23)[nH]c(=O)c1O
Show InChI InChI=1S/C14H8BrClN2O4S/c15-12-7(6-3-5(16)1-2-8(6)23-12)4-9-17-10(14(21)22)11(19)13(20)18-9/h1-3,19H,4H2,(H,21,22)(H,17,18,20)
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n/an/a 175n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270574
PNG
((S)-N6-((1- cyclopropyl-1H- 1,2,3-triazol-4-yl)(4-...)
Show SMILES [2H]C(N(CC)c1ccc2ncnc(NCC(C)(C)C)c2c1)(c1cn(nn1)C1CC1)c1ccc(F)cc1
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n/an/a 276n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270601
PNG
((S)-N4-(3-chloro-4- fluorophenyl)-N6- ((4-chloroph...)
Show SMILES Fc1ccc(Nc2ncnc3ccc(N[C@H](c4cn(nn4)C4COC4)c4ccc(Cl)cc4)cc23)cc1Cl |r|
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n/an/a 284n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270602
PNG
((S)-N4-(3-chloro-4- fluorophenyl)-N6- ((4-chloroph...)
Show SMILES Fc1ccc(Nc2ncnc3ccc(N[C@H](c4cn(nn4)C4CCN(CC4)C4COC4)c4ccc(Cl)cc4)cc23)cc1Cl |r|
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n/an/a 318n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33411
PNG
(β-Thujaplicinol | hydroxytropolone, 3)
Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1
Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)
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n/an/a 660n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33418
PNG
(pyrimidinol carboxylic acid, 10)
Show SMILES COc1ccc(Cc2nc(C(O)=O)c(O)c(=O)[nH]2)cc1Br
Show InChI InChI=1S/C13H11BrN2O5/c1-21-8-3-2-6(4-7(8)14)5-9-15-10(13(19)20)11(17)12(18)16-9/h2-4,17H,5H2,1H3,(H,19,20)(H,15,16,18)
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n/an/a 1.15E+3n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50164648
PNG
(2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1840-1847 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.037
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33417
PNG
(pyrimidinol carboxylic acid, 9)
Show SMILES OC(=O)c1nc(Cc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1O
Show InChI InChI=1S/C12H8Cl2N2O4/c13-6-2-1-5(3-7(6)14)4-8-15-9(12(19)20)10(17)11(18)16-8/h1-3,17H,4H2,(H,19,20)(H,15,16,18)
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n/an/a 1.45E+3n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33415
PNG
(CHEMBL204900 | pyrimidinol carboxylic acid, 7)
Show SMILES OC(=O)c1nc(Cc2ccccc2)[nH]c(=O)c1O
Show InChI InChI=1S/C12H10N2O4/c15-10-9(12(17)18)13-8(14-11(10)16)6-7-4-2-1-3-5-7/h1-5,15H,6H2,(H,17,18)(H,13,14,16)
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n/an/a 2.50E+3n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33412
PNG
(CHEMBL183852 | N-hydroxy quinazolinedione, 4)
Show SMILES On1c(=O)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C8H6N2O3/c11-7-5-3-1-2-4-6(5)9-8(12)10(7)13/h1-4,13H,(H,9,12)
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n/an/a 6.00E+3n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270595
PNG
(US10059695, II-1 | benzyl 4-(4-(((8- chloro-4-((3-...)
Show SMILES Fc1ccc(Nc2ncnc3c(Cl)cc(NC(c4cn(nn4)C4CCN(CC4)C(=O)OCc4ccccc4)c4ccccc4)cc23)cc1Cl
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n/an/a 8.48E+3n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent




US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33409
PNG
(alpha, gamma-diketo acid, 1)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C15H11NO5S/c17-10(8-11(18)15(20)21)12-6-7-13(22-12)16-14(19)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,19)(H,20,21)
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n/an/a 9.85E+3n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33416
PNG
(pyrimidinol carboxylic acid, 8)
Show SMILES OC(=O)c1nc(CCc2ccccc2)[nH]c(=O)c1O
Show InChI InChI=1S/C13H12N2O4/c16-11-10(13(18)19)14-9(15-12(11)17)7-6-8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,18,19)(H,14,15,17)
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n/an/a 1.02E+4n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33414
PNG
(CHEMBL440562 | pyrimidinol carboxylic acid, 6)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccccc1
Show InChI InChI=1S/C11H8N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h1-5,14H,(H,16,17)(H,12,13,15)
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n/an/a 1.30E+4n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase RNase H


(Human immunodeficiency virus 1)
BDBM33413
PNG
(benzo[7]annulene-8-carboxylic acid, 5)
Show SMILES OC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1
Show InChI InChI=1S/C12H8O6/c13-7-2-1-5-3-6(12(17)18)4-8(14)11(16)9(5)10(7)15/h1-4,13,15H,(H,14,16)(H,17,18)
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n/an/a 2.32E+4n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
Ribonuclease H1


(Homo sapiens (Human))
BDBM33419
PNG
(pyrimidinol carboxylic acid, 11)
Show SMILES OC(=O)c1nc(Cc2c(Br)sc3ccc(Cl)cc23)[nH]c(=O)c1O
Show InChI InChI=1S/C14H8BrClN2O4S/c15-12-7(6-3-5(16)1-2-8(6)23-12)4-9-17-10(14(21)22)11(19)13(20)18-9/h1-3,19H,4H2,(H,21,22)(H,17,18,20)
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n/an/a 4.85E+4n/an/an/an/a8.020



Gilead Sciences Inc.



Assay Description
Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fol...


J Med Chem 52: 5781-4 (2009)


Article DOI: 10.1021/jm900597q
BindingDB Entry DOI: 10.7270/Q2TM78F2
More data for this
Ligand-Target Pair
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