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10 similar compounds to monomer 50250108

Compile data set for download or QSAR
Wt: 457.5
BDBM50249989
Wt: 552.6
BDBM50249990
Wt: 268.2
BDBM50250107
Wt: 297.3
BDBM50249998
Wt: 580.6
BDBM50249980
Wt: 602.6
BDBM50249981
Wt: 593.6
BDBM50249982
Wt: 593.6
BDBM50249986
Wt: 619.7
BDBM50249987
Wt: 633.7
BDBM50249988

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50249989,50249990,50250107,50249998,50249980,50249981,50249982,50249986,50249987,50249988   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50249980
PNG
(CHEMBL4091313)
Show SMILES Fc1ccccc1C1Nc2ccccc2C(=O)N1CCCCCCCN1C(Nc2ccccc2C1=O)c1ccccc1F
Show InChI InChI=1/C35H34F2N4O2/c36-28-18-8-4-14-24(28)32-38-30-20-10-6-16-26(30)34(42)40(32)22-12-2-1-3-13-23-41-33(25-15-5-9-19-29(25)37)39-31-21-11-7-17-27(31)35(41)43/h4-11,14-21,32-33,38-39H,1-3,12-13,22-23H2
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n/an/an/a 9n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay


J Med Chem 60: 9400-9406 (2017)

More data for this
Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50249989
PNG
(CHEMBL1387422)
Show SMILES CC(CNC(=O)CCCn1nc(C)c2c(C)n(nc2c1=O)-c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1/C27H31N5O2/c1-18-12-14-23(15-13-18)32-21(4)25-20(3)29-31(27(34)26(25)30-32)16-8-11-24(33)28-17-19(2)22-9-6-5-7-10-22/h5-7,9-10,12-15,19H,8,11,16-17H2,1-4H3,(H,28,33)
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n/an/an/a 8n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma


J Med Chem 61: 2604-2610 (2018)

More data for this
Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50249982
PNG
(CHEMBL4092911)
Show SMILES Fc1ccccc1C1Nc2ccccc2C(=O)N1CCN1CCC(CC1)N1C(Nc2ccccc2C1=O)c1ccccc1F
Show InChI InChI=1/C35H33F2N5O2/c36-28-13-5-1-9-24(28)32-38-30-15-7-3-11-26(30)34(43)41(32)22-21-40-19-17-23(18-20-40)42-33(25-10-2-6-14-29(25)37)39-31-16-8-4-12-27(31)35(42)44/h1-16,23,32-33,38-39H,17-22H2
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n/an/an/a 12n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay


J Med Chem 60: 9400-9406 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50249986
PNG
(CHEMBL4073704)
Show SMILES Fc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1CCN1CCC(CC1)N1[C@H](Nc2ccccc2C1=O)c1ccccc1F
Show InChI InChI=1/C35H33F2N5O2/c36-28-13-5-1-9-24(28)32-38-30-15-7-3-11-26(30)34(43)41(32)22-21-40-19-17-23(18-20-40)42-33(25-10-2-6-14-29(25)37)39-31-16-8-4-12-27(31)35(42)44/h1-16,23,32-33,38-39H,17-22H2/t32-,33+/s2
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n/an/an/a 58n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay


J Med Chem 60: 9400-9406 (2017)

More data for this
Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50249987
PNG
(CHEMBL4082888)
Show SMILES Cc1n(nc2c1c(C)nn(CCCN1CCC(CC1)N1C(Nc3ccccc3C1=O)c1ccccc1F)c2=O)-c1ccc(C)cc1
Show InChI InChI=1/C36H38FN7O2/c1-23-13-15-27(16-14-23)44-25(3)32-24(2)39-42(36(46)33(32)40-44)20-8-19-41-21-17-26(18-22-41)43-34(28-9-4-6-11-30(28)37)38-31-12-7-5-10-29(31)35(43)45/h4-7,9-16,26,34,38H,8,17-22H2,1-3H3
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n/an/an/a 4n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay


J Med Chem 60: 9400-9406 (2017)

More data for this
Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50249988
PNG
(CHEMBL4061005)
Show SMILES Cc1n(nc2c1c(C)nn(CCC(=O)N1CCC(CC1)N1C(Nc3ccccc3C1=O)c1ccccc1F)c2=O)-c1ccc(C)cc1
Show InChI InChI=1/C36H36FN7O3/c1-22-12-14-26(15-13-22)44-24(3)32-23(2)39-42(36(47)33(32)40-44)21-18-31(45)41-19-16-25(17-20-41)43-34(27-8-4-6-10-29(27)37)38-30-11-7-5-9-28(30)35(43)46/h4-15,25,34,38H,16-21H2,1-3H3
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n/an/an/a 2n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay


J Med Chem 60: 9400-9406 (2017)

More data for this
Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50249988
PNG
(CHEMBL4061005)
Show SMILES Cc1n(nc2c1c(C)nn(CCC(=O)N1CCC(CC1)N1C(Nc3ccccc3C1=O)c1ccccc1F)c2=O)-c1ccc(C)cc1
Show InChI InChI=1/C36H36FN7O3/c1-22-12-14-26(15-13-22)44-24(3)32-23(2)39-42(36(47)33(32)40-44)21-18-31(45)41-19-16-25(17-20-41)43-34(27-8-4-6-10-29(27)37)38-30-11-7-5-9-28(30)35(43)46/h4-15,25,34,38H,16-21H2,1-3H3
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n/an/an/a 37n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay


J Med Chem 60: 9400-9406 (2017)

More data for this
Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50249989
PNG
(CHEMBL1387422)
Show SMILES CC(CNC(=O)CCCn1nc(C)c2c(C)n(nc2c1=O)-c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1/C27H31N5O2/c1-18-12-14-23(15-13-18)32-21(4)25-20(3)29-31(27(34)26(25)30-32)16-8-11-24(33)28-17-19(2)22-9-6-5-7-10-22/h5-7,9-10,12-15,19H,8,11,16-17H2,1-4H3,(H,28,33)
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n/an/an/a 2.20n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay


J Med Chem 60: 9400-9406 (2017)

More data for this
Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50249990
PNG
(CHEMBL4090022)
Show SMILES Fc1ccccc1C1Nc2ccccc2C(=O)N1CCCCCN1C(Nc2ccccc2C1=O)c1ccccc1F
Show InChI InChI=1/C33H30F2N4O2/c34-26-16-6-2-12-22(26)30-36-28-18-8-4-14-24(28)32(40)38(30)20-10-1-11-21-39-31(23-13-3-7-17-27(23)35)37-29-19-9-5-15-25(29)33(39)41/h2-9,12-19,30-31,36-37H,1,10-11,20-21H2
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n/an/an/a 8n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay


J Med Chem 60: 9400-9406 (2017)

More data for this
Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50249988
PNG
(CHEMBL4061005)
Show SMILES Cc1n(nc2c1c(C)nn(CCC(=O)N1CCC(CC1)N1C(Nc3ccccc3C1=O)c1ccccc1F)c2=O)-c1ccc(C)cc1
Show InChI InChI=1/C36H36FN7O3/c1-22-12-14-26(15-13-22)44-24(3)32-23(2)39-42(36(47)33(32)40-44)21-18-31(45)41-19-16-25(17-20-41)43-34(27-8-4-6-10-29(27)37)38-30-11-7-5-9-28(30)35(43)46/h4-15,25,34,38H,16-21H2,1-3H3
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n/an/an/a 0.600n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay


J Med Chem 60: 9400-9406 (2017)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50249998
PNG
(CHEMBL4094646)
Show SMILES Cc1cccc(Oc2nn(c3ncnc(N)c23)C(C)(C)C)c1
Show InChI InChI=1S/C16H19N5O/c1-10-6-5-7-11(8-10)22-15-12-13(17)18-9-19-14(12)21(20-15)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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n/an/a 14n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...


J Med Chem 60: 9976-9989 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50249998
PNG
(CHEMBL4094646)
Show SMILES Cc1cccc(Oc2nn(c3ncnc(N)c23)C(C)(C)C)c1
Show InChI InChI=1S/C16H19N5O/c1-10-6-5-7-11(8-10)22-15-12-13(17)18-9-19-14(12)21(20-15)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...


J Med Chem 60: 9976-9989 (2017)

More data for this
Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50250107
PNG
(CHEMBL4085628)
Show SMILES CNC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C14H12N4O2/c1-15-14(20)10-8-16-18-12(19)7-11(17-13(10)18)9-5-3-2-4-6-9/h2-8,19H,1H3,(H,15,20)
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Article
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n/an/a 6.90E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc...


PLoS ONE 12: 1-16 (2017)


Article DOI: 10.1371/journal.pone.0184843
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50250107
PNG
(CHEMBL4085628)
Show SMILES CNC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C14H12N4O2/c1-15-14(20)10-8-16-18-12(19)7-11(17-13(10)18)9-5-3-2-4-6-9/h2-8,19H,1H3,(H,15,20)
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n/an/an/a 7.80E+4n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cGAS (2 to 522 residues) expressed in Sf9 insect cells by surface plasmon resonance assay


PLoS ONE 12: 1-16 (2017)


Article DOI: 10.1371/journal.pone.0184843
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50250107
PNG
(CHEMBL4085628)
Show SMILES CNC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C14H12N4O2/c1-15-14(20)10-8-16-18-12(19)7-11(17-13(10)18)9-5-3-2-4-6-9/h2-8,19H,1H3,(H,15,20)
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n/an/a 1.25E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc...


PLoS ONE 12: 1-16 (2017)


Article DOI: 10.1371/journal.pone.0184843
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50249981
PNG
(CHEMBL4072582)
Show SMILES Fc1ccccc1C1Nc2ccccc2C(=O)N1CCOc1ccc(cc1)N1C(Nc2ccccc2C1=O)c1ccccc1F
Show InChI InChI=1/C36H28F2N4O3/c37-29-13-5-1-9-25(29)33-39-31-15-7-3-11-27(31)35(43)41(33)21-22-45-24-19-17-23(18-20-24)42-34(26-10-2-6-14-30(26)38)40-32-16-8-4-12-28(32)36(42)44/h1-20,33-34,39-40H,21-22H2
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n/an/an/a 16n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay


J Med Chem 60: 9400-9406 (2017)

More data for this
Ligand-Target Pair