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Compile Data Set for Download or QSAR

Found 2341 hits with Last Name = 'miao' and Initial = 's'   
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50082842
PNG
(4-(3,4-Difluoro-phenyl)-6-methyl-3-{3-[4-(2-nitro-...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1[N+]([O-])=O |c:4|
Show InChI InChI=1S/C27H30F2N6O6/c1-17-23(25(36)41-2)24(18-8-9-19(28)20(29)16-18)34(27(38)31-17)26(37)30-10-5-11-32-12-14-33(15-13-32)21-6-3-4-7-22(21)35(39)40/h3-4,6-9,16,24H,5,10-15H2,1-2H3,(H,30,37)(H,31,38)
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0.0100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.


J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280795
PNG
((S)-3-(2-{4-amino-2-[6- fluoro-1-(2-fluorobenzyl)-...)
Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(F)ccc12)C(O)=O |r|
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0.0220n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280822
PNG
((S)-2-(3-(4-{4-amino-2- [1-(2-fluorobenzyl)-1H- py...)
Show SMILES CC(C)(NC(=O)CCc1ccc(cc1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)C(O)=O |r|
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0.0260n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280911
PNG
(3-(2-{4-amino-2- [6-chloro-1-(2- fluoro-3-methyl- ...)
Show SMILES Cc1cccc(Cn2nc(-c3nc4NC(=O)C(C)(c5nc(CC(C)(C)C(O)=O)co5)c4c(N)n3)c3ccc(Cl)cc23)c1F
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0.0290n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280876
PNG
(3-(2-{4-amino- 2-[1-(cyclohexyl- methyl)-1H- pyraz...)
Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(CC2CCCCC2)c2ncccc12)C(O)=O
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0.0310n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280914
PNG
((S)-3-(2-{4-amino- 2-[6-chloro-1- (2,3,6-trifluoro...)
Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2c(F)ccc(F)c2F)c2cc(Cl)ccc12)C(O)=O |r|
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0.0310n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280904
PNG
(3-(2-{4-amino-2- [6-chloro-1-(2,3- difluorobenzyl)...)
Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2cccc(F)c2F)c2cc(Cl)ccc12)C(O)=O
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0.0310n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280821
PNG
((S)-(3-(4-{4-Amino-2-[1-(2-fluorobenzyl)-1H-pyrazo...)
Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1ccc(CCC(=O)NCC(O)=O)cc1 |r|
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0.0390n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280918
PNG
((S)-3-(2-{4-amino- 2-[6-fluoro-1-(3- fluorobenzyl)...)
Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2cccc(F)c2)c2cc(F)ccc12)C(O)=O |r|
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0.0410n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280824
PNG
((5S,2S)-2-(3-(4-{4- amino-2-[1-(2- fluorobenzyl)-1...)
Show SMILES CC[C@H](NC(=O)CCc1ccc(cc1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)C(O)=O |r|
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0.0420n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280823
PNG
((5S)-(3-(4-{4-amino-2-[1- (2-fluorobenzyl)-1H- pyr...)
Show SMILES C[C@H](NC(=O)CCc1ccc(cc1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)C(O)=O |r|
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0.0450n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280740
PNG
(3-(2-{4-Amino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,...)
Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)C(O)=O
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0.0470n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280973
PNG
(4-Amino-2-[1-(2-fluorobenzyl)-1H-indazol-3-yl]-5-m...)
Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ccccc12)c1nn[nH]n1
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0.0480n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280913
PNG
(3-(2-{4-amino-2- [6-chloro-1-(2,3,6- trifluorobenz...)
Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2c(F)ccc(F)c2F)c2cc(Cl)ccc12)C(O)=O
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0.0490n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280945
PNG
(3-(2-{4-amino-2- [1-(3-fluoro- benzyl)-1H- indazol...)
Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2cccc(F)c2)c2ccccc12)C(O)=O
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0.0500n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50082851
PNG
(4-(3,4-Difluoro-phenyl)-6-methyl-3-{3-[(R)-2-methy...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(C[C@H]1C)c1ccccc1[N+]([O-])=O |c:4|
Show InChI InChI=1S/C28H32F2N6O6/c1-17-16-34(22-7-4-5-8-23(22)36(40)41)14-13-33(17)12-6-11-31-27(38)35-25(19-9-10-20(29)21(30)15-19)24(26(37)42-3)18(2)32-28(35)39/h4-5,7-10,15,17,25H,6,11-14,16H2,1-3H3,(H,31,38)(H,32,39)/t17-,25?/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.


J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280917
PNG
(4-(2-{4-amino-2- [6-fluoro-1-(2- fluorobenzyl)-1H-...)
Show SMILES CC(C)(CCc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(F)ccc12)C(O)=O
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0.0520n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280924
PNG
(3-(2-{4-amino-2- [1-(2,3-difluoro- benzyl)-6-fluor...)
Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2cccc(F)c2F)c2cc(F)ccc12)C(O)=O
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0.0520n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280826
PNG
((S)—N-((2H-Tetrazol-5-yl)methyl)-3-(4-{4-amin...)
Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1ccc(CCC(=O)NCc2nn[nH]n2)cc1 |r|
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0.0560n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280940
PNG
((2E)-3-(4-{4- amino-2-[6- chloro-1-(2- fluorobenzy...)
Show SMILES CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12)c1ccc(\C=C\C(O)=O)cc1
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0.0570n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280846
PNG
(4-(2-{4-amino-2-[6- chloro-1-(2-fluorobenzyl)- 1H-...)
Show SMILES CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12)c1nc(CCC(F)(F)C(O)=O)co1
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0.0570n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280862
PNG
(3-(2-{4-amino-2-[6- chloro-1-(2-fluorobenzyl)- 1H-...)
Show SMILES CC(C)(Cc1coc(n1)C1(C2CC2)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12)C(O)=O
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0.0580n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280825
PNG
((5S)-(3-(4-{4-amino-2-[1- (2-fluorobenzyl)-1H- pyr...)
Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1ccc(CCC(=O)N[C@H](CO)C(O)=O)cc1 |r|
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0.0580n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280985
PNG
((4-{4-Amino-2-[6-chloro-1-(2-fluorobenzyl)-1H-inda...)
Show SMILES CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12)c1ccc(OCC(O)=O)cc1
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0.0580n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50082827
PNG
(4-(3,4-Difluoro-phenyl)-6-methyl-2-oxo-3-[3-(4-o-t...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccc(C)cc1)c1ccccc1C |c:4|
Show InChI InChI=1S/C36H40F2N4O4/c1-23-10-13-27(14-11-23)36(28-9-6-5-8-24(28)2)16-20-41(21-17-36)19-7-18-39-34(44)42-32(26-12-15-29(37)30(38)22-26)31(33(43)46-4)25(3)40-35(42)45/h5-6,8-15,22,32H,7,16-21H2,1-4H3,(H,39,44)(H,40,45)
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0.0600n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-1A adrenergic receptor of human liver microsomes


J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50082811
PNG
(3-{3-[4-Cyano-4-(4-fluoro-phenyl)-piperidin-1-yl]-...)
Show SMILES COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
Show InChI InChI=1S/C30H32F3N5O5/c1-42-17-24-25(27(39)43-2)26(19-4-9-22(32)23(33)16-19)38(29(41)36-24)28(40)35-12-3-13-37-14-10-30(18-34,11-15-37)20-5-7-21(31)8-6-20/h4-9,16,26H,3,10-15,17H2,1-2H3,(H,35,40)(H,36,41)
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0.0600n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-1A adrenergic receptor of human liver microsomes


J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280817
PNG
((S)-3-(2-{4-amino-2-[6- chloro-1-(2- fluorobenzyl)...)
Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12)C(O)=O |r|
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0.0600n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280968
PNG
(5-[4-(2H-tetrazol- 5-yl)pyridin-2- yl]-4-amino-2- ...)
Show SMILES CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12)c1cc(ccn1)-c1nn[nH]n1
PDB

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280870
PNG
(4-(2-{4-amino-2- [1-(2-fluorobenzyl)- 1H-pyrazolo[...)
Show SMILES CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1nc(co1)-c1ccc(cc1)C(O)=O
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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280884
PNG
((S)-3-(4-{4-amino- 2-[6-chloro-1- (cyclopentylmeth...)
Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(CC2CCCC2)c2cc(Cl)ccc12)c1ccc(CCC(O)=O)cc1 |r|
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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280813
PNG
((S)-3-(2-{4-amino-2-[1- (2-fluorobenzyl)-1H- pyraz...)
Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)C(O)=O |r|
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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280969
PNG
(5-{4-[(2H-tetrazol- 5-yl)methyl] phenyl}-4-amino- ...)
Show SMILES CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12)c1ccc(Cc2nn[nH]n2)cc1
PDB

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280760
PNG
((S)-3-(4-{4-amino-2-[1-(2- fluorobenzyl)-1H- pyraz...)
Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1ccc(CCC(O)=O)cc1 |r|
PDB

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280830
PNG
((S)-4-Amino-2-[6-chloro-1-(2-fluorobenzyl)-1H-inda...)
Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12)c1ccc(CCc2nn[nH]n2)cc1 |r|
PDB

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280794
PNG
(3-(3-{4-amino-2-[6-fluoro-1- (2-fluorobenzyl)-1H-i...)
Show SMILES CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(F)ccc12)c1cccc(CCC(O)=O)c1
PDB

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280946
PNG
((S)-3-(2-{4-amino- 5-methyl-6- oxo-2-[1-(2,3,6- tr...)
Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2c(F)ccc(F)c2F)c2ccccc12)C(O)=O |r|
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Merck Sharp & Dohme Corp.

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280742
PNG
(3-(2-{4-amino- 2-[6-chloro-1- (2-fluorobenzyl)- 1H...)
Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12)C(O)=O
PDB

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280939
PNG
((2E)-3-(4-{4- amino-2-[1-(2- fluorobenzyl)-1H- pyr...)
Show SMILES CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1ccc(\C=C\C(O)=O)cc1
PDB

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280964
PNG
(4-amino-2-[6- chloro-1-(2- fluorobenzyl)-1H- indaz...)
Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12)c1nn[nH]n1
PDB

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Merck Sharp & Dohme Corp.

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280974
PNG
(4-Amino-2-[6-fluoro-1-(2-fluorobenzyl)-1H-indazol-...)
Show SMILES CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(F)ccc12)c1cccc(c1)-c1nn[nH]n1
PDB

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Merck Sharp & Dohme Corp.

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280923
PNG
((S)-3-(2-{4-amino- 2-[1-(2,3- difluorobenzyl)-6- f...)
Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2cccc(F)c2F)c2cc(F)ccc12)C(O)=O |r|
PDB

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280891
PNG
(4-(2-{4-amino-2- [6-chloro-1-(2- fluorobenzyl)-1H-...)
Show SMILES CC(C)(CCc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12)C(O)=O
PDB

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280934
PNG
(3-(2-{4-amino-2- [6-fluoro-1-(2- fluoro-3-methyl- ...)
Show SMILES Cc1cccc(Cn2nc(-c3nc4NC(=O)C(C)(c5nc(CC(C)(C)C(O)=O)co5)c4c(N)n3)c3ccc(F)cc23)c1F
PDB

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Merck Sharp & Dohme Corp.

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280980
PNG
(6-{4-Amino-2-[6-chloro-1-(2-fluorobenzyl)-1H-indaz...)
Show SMILES CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12)c1cccc(n1)C(O)=O
PDB

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280851
PNG
(3-{2-[4-amino-2-{6- chloro-1-[4- methylcyclohexylm...)
Show SMILES CC1CCC(Cn2nc(-c3nc4NC(=O)C(C)(c5nc(CC(C)(C)C(O)=O)co5)c4c(N)n3)c3ccc(Cl)cc23)CC1 |(-1.39,-7.53,;-2.48,-6.44,;-3.97,-6.84,;-5.06,-5.75,;-4.66,-4.26,;-5.75,-3.17,;-5.35,-1.69,;-3.89,-1.21,;-3.89,.33,;-2.55,1.1,;-1.22,.33,;.11,1.1,;1.58,.62,;2.48,1.87,;4.02,1.87,;1.58,3.12,;.81,4.45,;2.91,3.89,;4.38,3.41,;5.28,4.66,;6.82,4.66,;7.59,5.99,;7.59,7.53,;6.26,6.76,;9.13,5.99,;9.9,7.32,;9.9,4.66,;4.38,5.9,;2.91,5.43,;.11,2.64,;-1.22,3.41,;-1.22,4.95,;-2.55,2.64,;-5.35,.81,;-5.98,2.21,;-7.51,2.37,;-8.41,1.13,;-9.9,1.53,;-7.79,-.28,;-6.26,-.44,;-3.17,-3.86,;-2.08,-4.95,)|
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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280986
PNG
(3-[1-{4-Amino-2-[6-chloro-1-(2-fluorobenzyl)-1H-in...)
Show SMILES CC1(N2CCC(CCC(O)=O)C2)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12
PDB

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280981
PNG
((S)-4-Amino-2-[6-chloro-1-(2-fluorobenzyl)-1H-inda...)
Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12)c1ccc(CCc2noc(=O)[nH]2)cc1 |r|
PDB

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280871
PNG
(4-(2-{4-amino-2- [1-(2-fluorobenzyl)- 1H-pyrazolo[...)
Show SMILES CC1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1nc(cs1)-c1ccc(cc1)C(O)=O
PDB

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280796
PNG
((S)-3-(4-{4-amino-2-[6- chloro-1-(2,6- difluoroben...)
Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2c(F)cccc2F)c2cc(Cl)ccc12)c1ccc(CCC(O)=O)cc1 |r|
PDB

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Merck Sharp & Dohme Corp.

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1


(Homo sapiens (Human))
BDBM280965
PNG
((S)-4-amino-2- [1-(2-fluoro- benzyl)-1H- pyrazolo[...)
Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1ccc(CCc2nn[nH]n2)cc1 |r|
PDB

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US Patent US10030027 (2018)


BindingDB Entry DOI: 10.7270/Q22N549C
More data for this
Ligand-Target Pair
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