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Compile Data Set for Download or QSAR

Found 664 hits with Last Name = 'zhou' and Initial = 'r'   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264121
PNG
(3-(3-(4-(4-(4-oxofuro[3,2-c]pyridin-5 (4H)-yl)phen...)
Show SMILES O=c1n(ccc2occc12)-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
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0.100n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4779
PNG
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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Patents

PubMed
0.110n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis


J Med Chem 59: 2005-24 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264120
PNG
(3-(4-(4-(4-(4-oxofuro[3,2-c]pyridin-5 (4H)-yl)phen...)
Show SMILES O=c1n(ccc2occc12)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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0.140n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264112
PNG
(3-(4-(4-(4-(3,5-difluoro-2-oxopyridin-1(2H)-yl)phe...)
Show SMILES Fc1cc(F)c(=O)n(c1)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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0.180n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264097
PNG
(1-(4-(4-(4-(5-fluoro-1H-indol-3-yl)butyl)piperazin...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)-n3ccccc3=O)c2c1
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0.190n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301953
PNG
(3-(3-(4-(4,6-Dimethoxypyrimidin-2-yl)piperazin-1-y...)
Show SMILES COc1ccc2[nH]cc(CCCN3CCN(CC3)c3nc(OC)cc(OC)n3)c2c1
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0.190n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301980
PNG
(3-(3-(4-(4-(Trifluoromethyl)pyrimidin-2-yl)piperaz...)
Show SMILES FC(F)(F)c1ccnc(n1)N1CCN(CCCc2c[nH]c3ccc(cc23)[N+]#[C-])CC1
UniProtKB/SwissProt

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0.200n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264096
PNG
(3-(4-(4-(4-(2-oxopyridin-1(2H)-yl)phenyl)piperazin...)
Show SMILES O=c1ccccn1-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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0.230n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301982
PNG
(Ethyl 2-(4-(3-(5-fluoro-1H-indol-3-yl)propyl)piper...)
Show SMILES CCOC(=O)c1sc(nc1C)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
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0.270n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301963
PNG
(3-(3-(4-(4,6-Dimethylpyrimidin-2-yl)piperazin-1-yl...)
Show SMILES COc1ccc2[nH]cc(CCCN3CCN(CC3)c3nc(C)cc(C)n3)c2c1
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0.290n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301984
PNG
(Ethyl 2-(4-(3-(5-cyano-1H-indol-3-yl)propyl)pipera...)
Show SMILES CCOC(=O)c1sc(nc1C)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
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0.300n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264113
PNG
(3-(3-(4-(4-(3,5-difluoro-2-oxopyridin-1(2H)-yl)phe...)
Show SMILES Fc1cc(F)c(=O)n(c1)-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
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0.310n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264104
PNG
(3-(4-(4-(4-(4-methyl-2-oxopyridin-1(2H)-yl)phenyl)...)
Show SMILES Cc1ccn(-c2ccc(cc2)N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
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0.480n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264118
PNG
(3-(4-(4-(4-(5-oxo-1,6-naphthyridin-6(5H)-yl)phenyl...)
Show SMILES O=c1n(ccc2ncccc12)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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0.5n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264109
PNG
(3-(3-(4-(4-(4-methoxy-2-oxopyridin-1(2H)-yl)phenyl...)
Show SMILES COc1ccn(-c2ccc(cc2)N2CCN(CCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
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0.610n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301967
PNG
(3-(4-(4-(4-Methoxy-6-methylpyrimidin-2-yl)piperazi...)
Show SMILES COc1cc(C)nc(n1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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0.650n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301978
PNG
(3-(4-(4-(4-(Trifluoromethyl)pyrimidin-2-yl)piperaz...)
Show SMILES FC(F)(F)c1ccnc(n1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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0.700n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301964
PNG
(5-Chloro-3-(3-(4-(4,6-dimethylpyrimidin-2-yl)piper...)
Show SMILES Cc1cc(C)nc(n1)N1CCN(CCCc2c[nH]c3ccc(Cl)cc23)CC1
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0.710n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301983
PNG
(Ethyl 2-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperaz...)
Show SMILES CCOC(=O)c1sc(nc1C)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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0.790n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264122
PNG
(3-(4-(4-(4-(2-oxopyrazin-1(2H)-yl)phenyl)piperazin...)
Show SMILES O=c1cnccn1-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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0.800n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264099
PNG
(1-(4-(4-(3-(5-fluoro-1H-indol-3-yl)propyl)piperazi...)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccc(cc3)-n3ccccc3=O)c2c1
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0.870n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264105
PNG
(3-(3-(4-(4-(4-methyl-2-oxopyridin-1(2H)-yl)phenyl)...)
Show SMILES Cc1ccn(-c2ccc(cc2)N2CCN(CCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
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0.890n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301979
PNG
(5-Fluoro-3-(3-(4-(4-(trifluoromethyl)pyrimidin-2-y...)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3nccc(n3)C(F)(F)F)c2c1
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1n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301958
PNG
(3-(4-(4-(4,6-Dimethylpyrimidin-2-yl)piperazin-1-yl...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3nc(C)cc(C)n3)c2c1
UniProtKB/SwissProt

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1.10n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301957
PNG
(3-(4-(4-(4,6-Dimethylpyrimidin-2-yl)piperazin-1-yl...)
Show SMILES Cc1cc(C)nc(n1)N1CCN(CCCCc2c[nH]c3ccccc23)CC1
UniProtKB/SwissProt

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1.10n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301949
PNG
(5-Chloro-3-(4-(4-(4,6-dimethoxypyrimidin-2-yl)pipe...)
Show SMILES COc1cc(OC)nc(n1)N1CCN(CCCCc2c[nH]c3ccc(Cl)cc23)CC1
UniProtKB/SwissProt

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1.10n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301966
PNG
(3-(3-(4-(4,6-Dimethylpyrimidin-2-yl)piperazin-1-yl...)
Show SMILES Cc1cc(C)nc(n1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
UniProtKB/SwissProt

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1.10n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264098
PNG
(3-(3-(4-(4-(2-oxopyridin-1(2H)-yl)phenyl)piperazin...)
Show SMILES O=c1ccccn1-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
UniProtKB/SwissProt

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1.20n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264108
PNG
(3-(4-(4-(4-(4-methoxy-2-oxopyridin-1(2H)-yl)phenyl...)
Show SMILES COc1ccn(-c2ccc(cc2)N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
UniProtKB/SwissProt

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1.20n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264091
PNG
(3-(3-(4-(4-(2-oxopiperidin-1-yl)phenyl)piperazin-1...)
Show SMILES O=C1CCCCN1c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
UniProtKB/SwissProt

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1.20n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301956
PNG
(3-(3-(4-(4,6-Dimethoxypyrimidin-2-yl)piperazin-1-y...)
Show SMILES COc1cc(OC)nc(n1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
UniProtKB/SwissProt

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1.30n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264124
PNG
(3-(4-(4-(4-(2-oxotetrahydropyrimidin-1(2H)-yl)phen...)
Show SMILES O=C1NCCCN1c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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1.30n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301965
PNG
(3-(3-(4-(4,6-Dimethylpyrimidin-2-yl)piperazin-1-yl...)
Show SMILES Cc1cc(C)nc(n1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
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1.40n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301948
PNG
(3-(4-(4-(4,6-Dimethoxypyrimidin-2-yl)piperazin-1-y...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3nc(OC)cc(OC)n3)c2c1
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1.40n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301968
PNG
(3-(3-(4-(4-Methoxy-6-methylpyrimidin-2-yl)piperazi...)
Show SMILES COc1cc(C)nc(n1)N1CCN(CCCc2c[nH]c3ccc(cc23)[N+]#[C-])CC1
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1.5n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264115
PNG
(3-(5-(4-(4-(3,5-difluoro-2-oxopyridin-1(2H)-yl)phe...)
Show SMILES Fc1cc(F)c(=O)n(c1)-c1ccc(cc1)N1CCN(CCCCCc2c[nH]c3ccc(cc23)C#N)CC1
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1.5n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264119
PNG
(3-(3-(4-(4-(5-oxo-1,6-naphthyridin-6(5H)-yl)phenyl...)
Show SMILES O=c1n(ccc2ncccc12)-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
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1.70n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301960
PNG
(3-(4-(4-(4,6-Dimethylpyrimidin-2-yl)piperazin-1-yl...)
Show SMILES Cc1cc(C)nc(n1)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
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1.70n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301959
PNG
(5-Chloro-3-(4-(4-(4,6-dimethylpyrimidin-2-yl)piper...)
Show SMILES Cc1cc(C)nc(n1)N1CCN(CCCCc2c[nH]c3ccc(Cl)cc23)CC1
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1.80n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264011
PNG
(3-(4-(4-(4-(2-oxopiperidin-1-yl)phenyl)piperazin-1...)
Show SMILES O=C1CCCCN1c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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1.90n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264125
PNG
(3-(3-(4-(4-(2-oxotetrahydropyrimidin-1(2H)-yl)phen...)
Show SMILES O=C1NCCCN1c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
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1.90n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301954
PNG
(5-Chloro-3-(3-(4-(4,6-dimethoxypyrimidin-2-yl)pipe...)
Show SMILES COc1cc(OC)nc(n1)N1CCN(CCCc2c[nH]c3ccc(Cl)cc23)CC1
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2n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50159347
PNG
(CHEMBL3787662 | US9586965, Cpd 1)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
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KEGG

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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis


J Med Chem 59: 2005-24 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50159358
PNG
(CHEMBL3787386)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCC#C)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C20H14ClFN4O2/c1-3-7-28-18-10-16-13(9-17(18)26-19(27)4-2)20(24-11-23-16)25-12-5-6-15(22)14(21)8-12/h1,4-6,8-11H,2,7H2,(H,26,27)(H,23,24,25)
PDB

KEGG

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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis


J Med Chem 59: 2005-24 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301977
PNG
(5-Fluoro-3-(4-(4-(4-(trifluoromethyl)pyrimidin-2-y...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3nccc(n3)C(F)(F)F)c2c1
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2n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM264093
PNG
(3-(4-(4-(4-(3-oxomorpholino)phenyl)piperazin-1-yl)...)
Show SMILES O=C1COCCN1c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
UniProtKB/SwissProt

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2.10n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301951
PNG
(3-(4-(4-(4,6-Dimethoxypyrimidin-2-yl)piperazin-1-y...)
Show SMILES COc1cc(OC)nc(n1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
UniProtKB/SwissProt

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2.30n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM263988
PNG
(1-(4-(4-(4-(5-fluoro-1H-indol-3-yl)butyl)piperazin...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)N3CCCCC3=O)c2c1
UniProtKB/SwissProt

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2.5n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9714232 (2017)


BindingDB Entry DOI: 10.7270/Q28054N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301992
PNG
(2-(4-(3-(5-Cyano-1H-indol-3-yl)propyl)piperazin-1-...)
Show SMILES Cc1nc(sc1C#N)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
UniProtKB/SwissProt

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2.60n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM301950
PNG
(3-(4-(4-(4,6-Dimethoxypyrimidin-2-yl)piperazin-1-y...)
Show SMILES COc1cc(OC)nc(n1)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
UniProtKB/SwissProt

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2.80n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9598401 (2017)


BindingDB Entry DOI: 10.7270/Q2GH9M1F
More data for this
Ligand-Target Pair
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