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Compile Data Set for Download or QSAR

Found 12801 hits with Last Name = 'fu' and Initial = 'j'   
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
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))
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))
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))
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM472
PNG
(5-tert-butyl-4-{[(6S)-4-hydroxy-6-[2-(4-hydroxyphe...)
Show SMILES CC(C)[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(C)(=O)=O)cc2C(C)(C)C)C(=O)O1 |r|
Show InChI InChI=1S/C28H36O7S2/c1-17(2)28(13-12-19-8-10-20(29)11-9-19)16-22(30)25(26(31)34-28)36-24-14-18(3)23(35-37(7,32)33)15-21(24)27(4,5)6/h8-11,14-15,17,25,29H,12-13,16H2,1-7H3/t25?,28-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 43: 843-58 (2000)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q21N7Z9R
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50409174
PNG
(CHEMBL169119)
Show SMILES COC1=C(Sc2cc(C)c(O)cc2C(C)(C)C)C(=O)OC(CCc2ccc(O)cc2)(C1)C(C)C |c:2|
Show InChI InChI=1S/C28H36O5S/c1-17(2)28(13-12-19-8-10-20(29)11-9-19)16-23(32-7)25(26(31)33-28)34-24-14-18(3)22(30)15-21(24)27(4,5)6/h8-11,14-15,17,29-30H,12-13,16H2,1-7H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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UniChem
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0.0300n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for binding affinity against HIV protease


J Med Chem 43: 843-58 (2000)


BindingDB Entry DOI: 10.7270/Q2R49S0R
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM472
PNG
(5-tert-butyl-4-{[(6S)-4-hydroxy-6-[2-(4-hydroxyphe...)
Show SMILES CC(C)[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(C)(=O)=O)cc2C(C)(C)C)C(=O)O1 |r|
Show InChI InChI=1S/C28H36O7S2/c1-17(2)28(13-12-19-8-10-20(29)11-9-19)16-22(30)25(26(31)34-28)36-24-14-18(3)23(35-37(7,32)33)15-21(24)27(4,5)6/h8-11,14-15,17,25,29H,12-13,16H2,1-7H3/t25?,28-/m0/s1
PDB
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UniChem
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0.0300n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for binding affinity against HIV protease


J Med Chem 43: 843-58 (2000)


BindingDB Entry DOI: 10.7270/Q2R49S0R
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM430
PNG
(3-[(2-tert-butyl-4-hydroxy-5-methylphenyl)sulfanyl...)
Show SMILES CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(O)cc2C(C)(C)C)C(=O)O1
Show InChI InChI=1S/C27H34O5S/c1-16(2)27(12-11-18-7-9-19(28)10-8-18)15-22(30)24(25(31)32-27)33-23-13-17(3)21(29)14-20(23)26(4,5)6/h7-10,13-14,16,24,28-29H,11-12,15H2,1-6H3
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0.0300n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 43: 843-58 (2000)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q21N7Z9R
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))
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))
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))
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|
PDB

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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|
PDB

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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))
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|
PDB

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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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50245852
PNG
(CHEMBL458333 | N3-(2,6-dimethylphenyl)-1-(3-methox...)
Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc12
Show InChI InChI=1S/C31H41N7O2/c1-22-9-8-10-23(2)27(22)34-28-26-21-32-30(35-29(26)38(36-28)18-15-31(3,4)39-5)33-24-11-13-25(14-12-24)40-20-19-37-16-6-7-17-37/h8-14,21H,6-7,15-20H2,1-5H3,(H,34,36)(H,32,33,35)
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0.0400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK (unknown origin)


Bioorg Med Chem Lett 18: 6352-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ
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))
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|
PDB

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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))
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|
PDB

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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|
PDB

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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))
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
PDB

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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))
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
PDB

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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))
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))
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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Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


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


(Rattus norvegicus (rat))
BDBM50262420
PNG
(7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-thiadiazol-2-yl...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(s1)-c1ccccn1
Show InChI InChI=1S/C20H21N3OS/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2
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0.0500n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
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
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
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))
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))
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))
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
PDB

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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))
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
PDB

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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
PDB

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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
PDB

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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))
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|
PDB

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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
PDB

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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
PDB

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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|
PDB

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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))
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
PDB

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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))
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
PDB

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Merck Sharp & Dohme Corp.

US Patent




US Patent US10030027 (2018)


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