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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'latz' and Initial = 'e'   
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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017539
PNG
(CHEMBL80414 | Propyl-(4,5,6,7-tetrahydro-2H-indazo...)
Show SMILES CCCNC1CCc2[nH]ncc2C1
Show InChI InChI=1S/C10H17N3/c1-2-5-11-9-3-4-10-8(6-9)7-12-13-10/h7,9,11H,2-6H2,1H3,(H,12,13)
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n/an/a 65n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017542
PNG
(CHEMBL80437 | Phenethyl-propyl-(4,5,6,7-tetrahydro...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C18H25N3/c1-2-11-21(12-10-15-6-4-3-5-7-15)17-8-9-18-16(13-17)14-19-20-18/h3-7,14,17H,2,8-13H2,1H3,(H,19,20)
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n/an/a 140n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017547
PNG
(CHEMBL421512 | Propyl-(4,5,6,7-tetrahydro-2H-indaz...)
Show SMILES CCCN(CCc1cccs1)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C16H23N3S/c1-2-8-19(9-7-15-4-3-10-20-15)14-5-6-16-13(11-14)12-17-18-16/h3-4,10,12,14H,2,5-9,11H2,1H3,(H,17,18)
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n/an/a 160n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017550
PNG
(CHEMBL76399 | N*6*-Propyl-4,5,6,7-tetrahydro-benzo...)
Show SMILES CCCNC1CCc2nc(N)sc2C1
Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)
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n/an/a 280n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017551
PNG
((3-Methylsulfanyl-propyl)-propyl-(4,5,6,7-tetrahyd...)
Show SMILES CCCN(CCCSC)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C14H25N3S/c1-3-7-17(8-4-9-18-2)13-5-6-14-12(10-13)11-15-16-14/h11,13H,3-10H2,1-2H3,(H,15,16)
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n/an/a 310n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017541
PNG
(Butyl-propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-...)
Show SMILES CCCCN(CCC)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C14H25N3/c1-3-5-9-17(8-4-2)13-6-7-14-12(10-13)11-15-16-14/h11,13H,3-10H2,1-2H3,(H,15,16)
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n/an/a 330n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017544
PNG
(CHEMBL77421 | Ethyl-(4,5,6,7-tetrahydro-2H-indazol...)
Show SMILES CCNC1CCc2[nH]ncc2C1
Show InChI InChI=1S/C9H15N3/c1-2-10-8-3-4-9-7(5-8)6-11-12-9/h6,8,10H,2-5H2,1H3,(H,11,12)
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n/an/a 610n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017550
PNG
(CHEMBL76399 | N*6*-Propyl-4,5,6,7-tetrahydro-benzo...)
Show SMILES CCCNC1CCc2nc(N)sc2C1
Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017542
PNG
(CHEMBL80437 | Phenethyl-propyl-(4,5,6,7-tetrahydro...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C18H25N3/c1-2-11-21(12-10-15-6-4-3-5-7-15)17-8-9-18-16(13-17)14-19-20-18/h3-7,14,17H,2,8-13H2,1H3,(H,19,20)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017546
PNG
(CHEMBL311225 | Methyl-propyl-(4,5,6,7-tetrahydro-2...)
Show SMILES CCCN(C)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C11H19N3/c1-3-6-14(2)10-4-5-11-9(7-10)8-12-13-11/h8,10H,3-7H2,1-2H3,(H,12,13)
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n/an/a 1.23E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017547
PNG
(CHEMBL421512 | Propyl-(4,5,6,7-tetrahydro-2H-indaz...)
Show SMILES CCCN(CCc1cccs1)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C16H23N3S/c1-2-8-19(9-7-15-4-3-10-20-15)14-5-6-16-13(11-14)12-17-18-16/h3-4,10,12,14H,2,5-9,11H2,1H3,(H,17,18)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017540
PNG
((3-Methylsulfanyl-propyl)-(4,5,6,7-tetrahydro-2H-i...)
Show SMILES CSCCCNC1CCc2[nH]ncc2C1
Show InChI InChI=1S/C11H19N3S/c1-15-6-2-5-12-10-3-4-11-9(7-10)8-13-14-11/h8,10,12H,2-7H2,1H3,(H,13,14)
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n/an/a 2.03E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017551
PNG
((3-Methylsulfanyl-propyl)-propyl-(4,5,6,7-tetrahyd...)
Show SMILES CCCN(CCCSC)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C14H25N3S/c1-3-7-17(8-4-9-18-2)13-5-6-14-12(10-13)11-15-16-14/h11,13H,3-10H2,1-2H3,(H,15,16)
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n/an/a 3.99E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(BOVINE)
BDBM50017546
PNG
(CHEMBL311225 | Methyl-propyl-(4,5,6,7-tetrahydro-2...)
Show SMILES CCCN(C)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C11H19N3/c1-3-6-14(2)10-4-5-11-9(7-10)8-12-13-11/h8,10H,3-7H2,1-2H3,(H,12,13)
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n/an/a 8.33E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017545
PNG
((4,5,6,7-Tetrahydro-2H-indazol-5-yl)-(2-thiophen-2...)
Show SMILES C(Cc1cccs1)NC1CCc2[nH]ncc2C1
Show InChI InChI=1S/C13H17N3S/c1-2-12(17-7-1)5-6-14-11-3-4-13-10(8-11)9-15-16-13/h1-2,7,9,11,14H,3-6,8H2,(H,15,16)
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n/an/a 9.16E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017549
PNG
(Butyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine |...)
Show SMILES CCCCNC1CCc2[nH]ncc2C1
Show InChI InChI=1S/C11H19N3/c1-2-3-6-12-10-4-5-11-9(7-10)8-13-14-11/h8,10,12H,2-7H2,1H3,(H,13,14)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017548
PNG
(CHEMBL81400 | Phenethyl-(4,5,6,7-tetrahydro-2H-ind...)
Show SMILES C(Cc1ccccc1)NC1CCc2[nH]ncc2C1
Show InChI InChI=1S/C15H19N3/c1-2-4-12(5-3-1)8-9-16-14-6-7-15-13(10-14)11-17-18-15/h1-5,11,14,16H,6-10H2,(H,17,18)
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Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017549
PNG
(Butyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine |...)
Show SMILES CCCCNC1CCc2[nH]ncc2C1
Show InChI InChI=1S/C11H19N3/c1-2-3-6-12-10-4-5-11-9(7-10)8-13-14-11/h8,10,12H,2-7H2,1H3,(H,13,14)
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Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017545
PNG
((4,5,6,7-Tetrahydro-2H-indazol-5-yl)-(2-thiophen-2...)
Show SMILES C(Cc1cccs1)NC1CCc2[nH]ncc2C1
Show InChI InChI=1S/C13H17N3S/c1-2-12(17-7-1)5-6-14-11-3-4-13-10(8-11)9-15-16-13/h1-2,7,9,11,14H,3-6,8H2,(H,15,16)
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Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017541
PNG
(Butyl-propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-...)
Show SMILES CCCCN(CCC)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C14H25N3/c1-3-5-9-17(8-4-2)13-6-7-14-12(10-13)11-15-16-14/h11,13H,3-10H2,1-2H3,(H,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017540
PNG
((3-Methylsulfanyl-propyl)-(4,5,6,7-tetrahydro-2H-i...)
Show SMILES CSCCCNC1CCc2[nH]ncc2C1
Show InChI InChI=1S/C11H19N3S/c1-15-6-2-5-12-10-3-4-11-9(7-10)8-13-14-11/h8,10,12H,2-7H2,1H3,(H,13,14)
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Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
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 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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017544
PNG
(CHEMBL77421 | Ethyl-(4,5,6,7-tetrahydro-2H-indazol...)
Show SMILES CCNC1CCc2[nH]ncc2C1
Show InChI InChI=1S/C9H15N3/c1-2-10-8-3-4-9-7(5-8)6-11-12-9/h6,8,10H,2-5H2,1H3,(H,11,12)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017539
PNG
(CHEMBL80414 | Propyl-(4,5,6,7-tetrahydro-2H-indazo...)
Show SMILES CCCNC1CCc2[nH]ncc2C1
Show InChI InChI=1S/C10H17N3/c1-2-5-11-9-3-4-10-8(6-9)7-12-13-10/h7,9,11H,2-6H2,1H3,(H,12,13)
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n/an/a 1.52E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017548
PNG
(CHEMBL81400 | Phenethyl-(4,5,6,7-tetrahydro-2H-ind...)
Show SMILES C(Cc1ccccc1)NC1CCc2[nH]ncc2C1
Show InChI InChI=1S/C15H19N3/c1-2-4-12(5-3-1)8-9-16-14-6-7-15-13(10-14)11-17-18-15/h1-5,11,14,16H,6-10H2,(H,17,18)
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n/an/a 1.53E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
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/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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
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: (2017)


Article DOI: 10.1371/journal.pone.0184843
BindingDB Entry DOI: 10.7270/Q2WQ067J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)