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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Cyclic GMP-AMP synthase'   
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
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM17051
PNG
(BX-795 | BX-795, 3 | N-(3-{[5-iodo-4-({3-[(thiophe...)
Show SMILES Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1
Show InChI InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
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n/an/a 60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cGAS in human THP1 cells assessed as reduction in salmon sperm dsDNA-induced IFN-beta expression preincubated for 1 hr followed by dsDN...


PLoS ONE 12: 1-16 (2017)


Article DOI: 10.1371/journal.pone.0184843
More data for this
Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50250108
PNG
(CHEMBL4096573)
Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,25H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/s2
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n/an/a 2.00E+3n/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)
BDBM50250108
PNG
(CHEMBL4096573)
Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,25H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/s2
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n/an/a 4.90E+3n/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)
BDBM50250111
PNG
(CHEMBL4084664)
Show SMILES C[C@@H](CO)NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1/C16H16N4O3/c1-10(9-21)18-16(23)12-8-17-20-14(22)7-13(19-15(12)20)11-5-3-2-4-6-11/h2-8,10,21-22H,9H2,1H3,(H,18,23)/t10-/s2
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n/an/a 8.10E+3n/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)
BDBM50250109
PNG
(CHEMBL4062994)
Show SMILES OC(=O)CNC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H12N4O4/c20-12-6-11(9-4-2-1-3-5-9)18-14-10(7-17-19(12)14)15(23)16-8-13(21)22/h1-7,20H,8H2,(H,16,23)(H,21,22)
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n/an/a 1.06E+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
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50250106
PNG
(CHEMBL4103560)
Show SMILES OCCNC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H14N4O3/c20-7-6-16-15(22)11-9-17-19-13(21)8-12(18-14(11)19)10-4-2-1-3-5-10/h1-5,8-9,20-21H,6-7H2,(H,16,22)
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n/an/a 1.51E+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
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50250111
PNG
(CHEMBL4084664)
Show SMILES C[C@@H](CO)NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1/C16H16N4O3/c1-10(9-21)18-16(23)12-8-17-20-14(22)7-13(19-15(12)20)11-5-3-2-4-6-11/h2-8,10,21-22H,9H2,1H3,(H,18,23)/t10-/s2
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n/an/a 1.75E+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)
BDBM50250106
PNG
(CHEMBL4103560)
Show SMILES OCCNC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H14N4O3/c20-7-6-16-15(22)11-9-17-19-13(21)8-12(18-14(11)19)10-4-2-1-3-5-10/h1-5,8-9,20-21H,6-7H2,(H,16,22)
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n/an/a 1.90E+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
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50250109
PNG
(CHEMBL4062994)
Show SMILES OC(=O)CNC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H12N4O4/c20-12-6-11(9-4-2-1-3-5-9)18-14-10(7-17-19(12)14)15(23)16-8-13(21)22/h1-7,20H,8H2,(H,16,23)(H,21,22)
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n/an/a 2.10E+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
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 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)
BDBM50250110
PNG
(CHEMBL4065757)
Show SMILES Oc1cc(nc2nnnn12)-c1ccccc1
Show InChI InChI=1S/C10H7N5O/c16-9-6-8(7-4-2-1-3-5-7)11-10-12-13-14-15(9)10/h1-6,16H
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n/an/a 7.80E+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/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)
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50250106
PNG
(CHEMBL4103560)
Show SMILES OCCNC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H14N4O3/c20-7-6-16-15(22)11-9-17-19-13(21)8-12(18-14(11)19)10-4-2-1-3-5-10/h1-5,8-9,20-21H,6-7H2,(H,16,22)
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n/an/an/a 1.25E+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
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50250111
PNG
(CHEMBL4084664)
Show SMILES C[C@@H](CO)NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1/C16H16N4O3/c1-10(9-21)18-16(23)12-8-17-20-14(22)7-13(19-15(12)20)11-5-3-2-4-6-11/h2-8,10,21-22H,9H2,1H3,(H,18,23)/t10-/s2
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n/an/an/a 2.70E+3n/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)
BDBM50250110
PNG
(CHEMBL4065757)
Show SMILES Oc1cc(nc2nnnn12)-c1ccccc1
Show InChI InChI=1S/C10H7N5O/c16-9-6-8(7-4-2-1-3-5-7)11-10-12-13-14-15(9)10/h1-6,16H
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n/an/an/a 1.71E+5n/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)
BDBM50250109
PNG
(CHEMBL4062994)
Show SMILES OC(=O)CNC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H12N4O4/c20-12-6-11(9-4-2-1-3-5-9)18-14-10(7-17-19(12)14)15(23)16-8-13(21)22/h1-7,20H,8H2,(H,16,23)(H,21,22)
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n/an/an/a 6.70E+3n/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
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)
BDBM50250108
PNG
(CHEMBL4096573)
Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,25H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/s2
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n/an/an/a 200n/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)