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Compile Data Set for Download or QSAR

Found 1108 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)
BDBM639724
PNG
(3-[[6,7-Dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl...)
Show SMILES OCCCOc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
PDB

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n/an/a 3.22n/an/an/an/an/an/a


TBA



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


(Homo sapiens)
BDBM639875
PNG
((S)—N-(5,6-Dichloro-8-(cyanomethoxy)-9-(1H-py...)
Show SMILES OCC(=O)N[C@H]1CCn2c1c(-c1cn[nH]c1)c1c(OCC#N)cc(Cl)c(Cl)c21 |r|
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n/an/a 3.38n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639703
PNG
(N-[6, 7-Dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl...)
Show SMILES FC(F)C(=O)Nc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
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n/an/a 3.56n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639763
PNG
((S)—N-(5,6-Dichloro-8-(cyanomethoxy)-9-(1H-py...)
Show SMILES CC(=O)N[C@H]1CCn2c1c(-c1cn[nH]c1)c1c(OCC#N)cc(Cl)c(Cl)c21 |r|
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n/an/a 3.76n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639676
PNG
(3-[[6,7-Dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl...)
Show SMILES OCCCNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
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n/an/a 4.33n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639869
PNG
(3-((6,7-Dichloro-2-(hydroxymethyl)-3-(1H-pyrazol-4...)
Show SMILES OCCCOc1cc(Cl)c(Cl)c2[nH]c(CO)c(-c3cn[nH]c3)c12
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n/an/a 4.74n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639655
PNG
(6,7-Dichloro-N-(2-fluoroethyl)-3-(1H-pyrazol-4-yl)...)
Show SMILES FCCNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
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n/an/a 4.91n/an/an/an/an/an/a


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Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639685
PNG
(N-((6,7-Dichloro-4-(cyanomethoxy)-3-(1H-pyrazol-4-...)
Show SMILES CC(=O)NCc1[nH]c2c(Cl)c(Cl)cc(OCC#N)c2c1-c1cn[nH]c1
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n/an/a 5.11n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639781
PNG
(3-[[6,7-Dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-...)
Show SMILES OCCCNc1cc(Cl)c(Cl)c2[nH]nc(-c3cn[nH]c3)c12
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Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639702
PNG
(N-(6,7-Dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl)...)
Show SMILES FCC(=O)Nc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
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n/an/a 5.67n/an/an/an/an/an/a


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Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639874
PNG
((S)—N-(5,6-Dichloro-8-ethoxy-9-(1H-pyrazol-4-...)
Show SMILES CCOc1cc(Cl)c(Cl)c2n3CC[C@H](NC(=O)CO)c3c(-c3cn[nH]c3)c12 |r|
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Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639734
PNG
(2-((6,7-Dichloro-2-(5-methyl-1,3,4-thiadiazol-2-yl...)
Show SMILES Cc1nnc(s1)N1CCn2c(C1)c(-c1cn[nH]c1)c1c(OCC#N)cc(Cl)c(Cl)c21
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More data for this
Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639879
PNG
(3,4-Dichloro-1-(3-hydroxypropoxy)-10-(1H-pyrazol-4...)
Show SMILES OCCCOc1cc(Cl)c(Cl)c2n3CC(O)CCc3c(-c3cn[nH]c3)c12
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n/an/a 6.95n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639810
PNG
(2-((6,7-Dichloro-2-(2-methoxyacetyl)-10-(1H-pyrazo...)
Show SMILES COCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3c(OCC#N)cc(Cl)c(Cl)c23)C1=O
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More data for this
Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639768
PNG
(N-(5,6-Dichloro-9-(1H-pyrazol-4-yl)-2,3-dihydro-1H...)
Show SMILES OCC(=O)NC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c21
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Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639870
PNG
(6,7-Dichloro-9-(3-hydroxypropoxy)-2-methyl-10-(1H-...)
Show SMILES CN1CCn2c(c(-c3cn[nH]c3)c3c(OCCCO)cc(Cl)c(Cl)c23)C1=O
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More data for this
Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639811
PNG
(US20230391786, Example 280)
Show SMILES CC(=O)N1CCn2c(C1)c(-c1cn[nH]c1)c1c(OCC#N)cc(Cl)c(Cl)c21
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Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639812
PNG
(US20230391786, Example 281)
Show SMILES CN1CCO[C@H](C1)C(=O)N1CCn2c(C1)c(-c1cn[nH]c1)c1c(OCC#N)cc(Cl)c(Cl)c21 |r|
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More data for this
Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639728
PNG
(22-[6, 7-Dichloro-1-[1-(2-hydroxy ethyl)triazol-4-...)
Show SMILES OCCn1cc(nn1)-n1cc(-c2cn[nH]c2)c2c(OCC#N)cc(Cl)c(Cl)c12
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n/an/a 8.93n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639813
PNG
(US20230391786, Example 282)
Show SMILES Cc1nc(no1)C(=O)N1CCn2c(C1)c(-c1cn[nH]c1)c1c(OCC#N)cc(Cl)c(Cl)c21
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n/an/a 8.96n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639775
PNG
((S)—N-(2-Acetamido-5,6-dichloro-9-(1H-pyrazol...)
Show SMILES CC(=O)N[C@H]1Cc2c(-c3cn[nH]c3)c3c(NC(=O)C(F)F)cc(Cl)c(Cl)c3n2C1 |r|
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n/an/a 9.90n/an/an/an/an/an/a


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Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50582698
PNG
(CHEMBL4448176)
Show SMILES Nc1ccc(cn1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)CO
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PDB
Article
PubMed
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114480
BindingDB Entry DOI: 10.7270/Q2K35ZMG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50582698
PNG
(CHEMBL4448176)
Show SMILES Nc1ccc(cn1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)CO
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cGAS


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00398
BindingDB Entry DOI: 10.7270/Q2RF5ZXH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50582698
PNG
(CHEMBL4448176)
Show SMILES Nc1ccc(cn1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)CO
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n/an/a 10n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128101
BindingDB Entry DOI: 10.7270/Q2W95F4V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639871
PNG
(2-((6,7-Dichloro-2-(hydroxymethyl)-3-(1H-pyrazol-4...)
Show SMILES OCc1[nH]c2c(Cl)c(Cl)cc(OCC#N)c2c1-c1cn[nH]c1
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n/an/a 10.2n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639657
PNG
(3-((6,7-Dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl...)
Show SMILES CC(CO)COc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
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n/an/a 10.3n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639718
PNG
(3-[[6,7-Dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl...)
Show SMILES OCC(F)CNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
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n/an/a 10.4n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639814
PNG
(US20230391786, Example 283)
Show SMILES Cn1cnc(n1)C(=O)N1CCn2c(C1)c(-c1cn[nH]c1)c1c(OCC#N)cc(Cl)c(Cl)c21
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n/an/a 10.6n/an/an/an/an/an/a


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Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639729
PNG
(3-[[6,7-Dichloro-1-[1-(2-hydroxyethyl)triazol-4-yl...)
Show SMILES OCCCNc1cc(Cl)c(Cl)c2n(cc(-c3cn[nH]c3)c12)-c1cn(CCO)nn1
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n/an/a 11n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639623
PNG
(2-((6,7-Dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazo...)
Show SMILES OCC(=O)N1CCn2c(C1)c(-c1cn[nH]c1)c1c(OCC#N)cc(Cl)c(Cl)c21
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n/an/a 11.2n/an/an/an/an/an/a


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Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639665
PNG
(N-[[6,7-Dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol...)
Show SMILES Cn1c(CNC(=O)CO)c(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c12
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Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639711
PNG
(5-[6,7-Dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1...)
Show SMILES Clc1ccc2c(-c3cn[nH]c3)c3CN(CCn3c2c1Cl)C(=O)C1CNC(=O)O1
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Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639547
PNG
(3,4-Dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahyd...)
Show SMILES OC(=O)[C@H]1CCn2c(C1)c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c21 |r|
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More data for this
Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639714
PNG
(6,7-Dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl...)
Show SMILES FCCOc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
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Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639756
PNG
(N-[6,7-Dichloro-2-(2-hydroxyethyl)-3-(1H-pyrazol-4...)
Show SMILES OCCc1[nH]c2c(Cl)c(Cl)cc(NC(=O)C(F)F)c2c1-c1cn[nH]c1
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n/an/a 12.1n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639776
PNG
((S)—N-(5,6-Dichloro-8-(cyanomethoxy)-9-(1H-py...)
Show SMILES CC(=O)N[C@H]1Cc2c(-c3cn[nH]c3)c3c(OCC#N)cc(Cl)c(Cl)c3n2C1 |r|
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More data for this
Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639878
PNG
(2-((5,6-Dichloro-1-(hydroxymethyl)-9-(1H-pyrazol-4...)
Show SMILES OCC1CCn2c1c(-c1cn[nH]c1)c1c(OCC#N)cc(Cl)c(Cl)c21
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n/an/a 12.2n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639815
PNG
(US20230391786, Example 284)
Show SMILES Clc1cc(OCC#N)c2c(-c3cn[nH]c3)c3CN(CCn3c2c1Cl)C(=O)CN1CCOC1=O
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n/an/a 12.4n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639868
PNG
(N-(6,7-Dichloro-3-(1H-pyrazol-4-yl)-1H-indazol-4-y...)
Show SMILES FC(F)C(=O)Nc1cc(Cl)c(Cl)c2[nH]nc(-c3cn[nH]c3)c12
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n/an/a 12.4n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639743
PNG
(2-[4-[6,7-Dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]t...)
Show SMILES OC(=O)Cn1cc(nn1)-n1cc(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c12
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n/an/a 12.5n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639816
PNG
(US20230391786, Example 285)
Show SMILES Clc1cc(OCC#N)c2c(-c3cn[nH]c3)c3CN(CCn3c2c1Cl)C(=O)[C@@H]1COCCO1 |r|
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n/an/a 12.6n/an/an/an/an/an/a


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


(Homo sapiens)
BDBM639674
PNG
(2-[[6,7-Dichloro-2-(2-hydroxyethyl)-1-oxo-10-(1H-p...)
Show SMILES OCCN1CCn2c(c(-c3cn[nH]c3)c3c(OCC#N)cc(Cl)c(Cl)c23)C1=O
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC sid
UniChem
n/an/a 12.7n/an/an/an/an/an/a


TBA



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


(Homo sapiens)
BDBM639717
PNG
(3-[[6,7-Dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl...)
Show SMILES OCC(F)(F)CNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 12.7n/an/an/an/an/an/a


TBA



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


(Homo sapiens)
BDBM639817
PNG
(US20230391786, Example 286)
Show SMILES Clc1cc(OCC#N)c2c(-c3cn[nH]c3)c3CN(CCn3c2c1Cl)C(=O)c1cnccn1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC sid
UniChem
n/an/a 13.1n/an/an/an/an/an/a


TBA



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


(Homo sapiens)
BDBM639663
PNG
(N-(6,7-Dichloro-2-(hydroxymethyl)-3-(1H-pyrazol-4-...)
Show SMILES OCc1[nH]c2c(Cl)c(Cl)cc(NC(=O)C(F)F)c2c1-c1cn[nH]c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC sid
UniChem
n/an/a 13.1n/an/an/an/an/an/a


TBA



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


(Homo sapiens)
BDBM639654
PNG
(6, 7-Dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-...)
Show SMILES FC(F)CNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 13.7n/an/an/an/an/an/a


TBA



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


(Homo sapiens)
BDBM639701
PNG
(N-(6,7-Dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl)...)
Show SMILES OCC(F)(F)C(=O)Nc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 13.8n/an/an/an/an/an/a


TBA



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


(Homo sapiens)
BDBM50582657
PNG
(CHEMBL5082056)
Show SMILES Cn1ccc(n1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)CO
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cGAS


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00398
BindingDB Entry DOI: 10.7270/Q2RF5ZXH
More data for this
Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM639784
PNG
(1-[6,7-Dichloro-9-(3-hydroxypropylamino)-10-(1H-py...)
Show SMILES CC(=O)N1CCn2c(C1)c(-c1cn[nH]c1)c1c(NCCCO)cc(Cl)c(Cl)c21
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 14n/an/an/an/an/an/a


TBA



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


(Homo sapiens)
BDBM50590390
PNG
(CHEMBL5174318)
Show SMILES Cn1cc(cn1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)CO
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114480
BindingDB Entry DOI: 10.7270/Q2K35ZMG
More data for this
Ligand-Target Pair
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