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Compile Data Set for Download or QSAR

Found 888 hits with Last Name = 'cow' and Initial = 'c'   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50493818
PNG
(Oliceridine | TRV-130 | US11124523, Comparative Co...)
Show SMILES COc1ccsc1CNCC[C@]1(CCOC2(CCCC2)C1)c1ccccn1 |r|
Show InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1
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6n/an/an/an/an/an/an/an/a



Trevena, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor by radio-ligand binding assay


J Med Chem 56: 8019-31 (2013)


Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50002595
PNG
(Solabegron)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human cloned beta-1 adrenergic receptor expressed in Sf9 cells


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50002595
PNG
(Solabegron)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1
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1.59E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human cloned beta-2 adrenergic receptor expressed in Sf9 cells


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50546132
PNG
(CHEMBL4759048)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C[C@H](O)[C@@H](N)c1ccc(OC(F)(F)F)cc1)C1CCC1 |r|
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPPL2a in human U2OS cells cotransfected with EGFP-labeled TNFalpha (1 to 76 residues)-NTF incubated for 24 hrs by Hoechst staining bas...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 4.60n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Mus musculus)
BDBM50546132
PNG
(CHEMBL4759048)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C[C@H](O)[C@@H](N)c1ccc(OC(F)(F)F)cc1)C1CCC1 |r|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse SPPL2a cotransfected with EGFP-NLP-fused TNFalpha (1 to 77 residues)-NTF incubated for 24 hrs by Hoechst staining based Cellomics...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50546130
PNG
(CHEMBL4762492)
Show SMILES CC(C)(C)c1cccc(c1)S(=O)(=O)N(C[C@H](O)[C@@H](N)c1ccccc1)C1CCC1 |r|
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luciferase reporter plasmid and VP16-TNFalpha(1-76)-NTF incubated for 24...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50546132
PNG
(CHEMBL4759048)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C[C@H](O)[C@@H](N)c1ccc(OC(F)(F)F)cc1)C1CCC1 |r|
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luciferase reporter plasmid and VP16-TNFalpha(1-76)-NTF incubated for 24...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50546128
PNG
(CHEMBL4753654)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)N(C[C@H](O)[C@@H](N)c1ccccc1)C1CCC1 |r|
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TBA

Assay Description
Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luciferase reporter plasmid and VP16-TNFalpha(1-76)-NTF incubated for 24...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50546125
PNG
(CHEMBL4792187)
Show SMILES N[C@H]([C@@H](O)CN(C1CCCCCC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luciferase reporter plasmid and VP16-TNFalpha(1-76)-NTF incubated for 24...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50470654
PNG
(CHEMBL141019)
Show SMILES CCc1cc(Sc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c2ncccc2n1
Show InChI InChI=1S/C23H18N6S/c1-2-16-14-21(22-20(25-16)8-5-13-24-22)30-17-11-9-15(10-12-17)18-6-3-4-7-19(18)23-26-28-29-27-23/h3-14H,2H2,1H3,(H,26,27,28,29)
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n/an/a 20n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50546131
PNG
(CHEMBL4759943)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C[C@H](O)[C@@H](N)c1ccccc1)C1CCC1 |r|
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TBA

Assay Description
Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luciferase reporter plasmid and VP16-TNFalpha(1-76)-NTF incubated for 24...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50003392
PNG
(2-Methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C24H19N5O/c1-16-14-23(21-8-4-5-9-22(21)25-16)30-15-17-10-12-18(13-11-17)19-6-2-3-7-20(19)24-26-28-29-27-24/h2-14H,15H2,1H3,(H,26,27,28,29)
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n/an/a 31n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50546124
PNG
(CHEMBL4740837)
Show SMILES N[C@H]([C@@H](O)CN(C1CCC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 |r|
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n/an/a 88n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luciferase reporter plasmid and VP16-TNFalpha(1-76)-NTF incubated for 24...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50029659
PNG
(2-Methyl-4-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylsul...)
Show SMILES Cc1cc(Sc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C23H17N5S/c1-15-14-22(20-8-4-5-9-21(20)24-15)29-17-12-10-16(11-13-17)18-6-2-3-7-19(18)23-25-27-28-26-23/h2-14H,1H3,(H,25,26,27,28)
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n/an/a 96n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Mus musculus)
BDBM50546132
PNG
(CHEMBL4759048)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C[C@H](O)[C@@H](N)c1ccc(OC(F)(F)F)cc1)C1CCC1 |r|
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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPPL2a in Balb/c mouse A20 cells assessed as reduction in CD74/p8 NTF accumulation incubated for overnight by Western blot analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50546118
PNG
(CHEMBL4762370)
Show SMILES CC(C)CN(C[C@H](O)[C@@H](N)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
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n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luciferase reporter plasmid and VP16-TNFalpha(1-76)-NTF incubated for 24...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50003391
PNG
(2-Methyl-4-{2-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl...)
Show SMILES Cc1cc(CCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H21N5/c1-17-16-20(22-7-4-5-9-24(22)26-17)15-12-18-10-13-19(14-11-18)21-6-2-3-8-23(21)25-27-29-30-28-25/h2-11,13-14,16H,12,15H2,1H3,(H,27,28,29,30)
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n/an/a 270n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2B


(Homo sapiens)
BDBM50546132
PNG
(CHEMBL4759048)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C[C@H](O)[C@@H](N)c1ccc(OC(F)(F)F)cc1)C1CCC1 |r|
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n/an/a 270n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SPPL2b in human U2OS cells cotransfected with EGFP-labeled TNFalpha (1 to 76 residues)-NTF incubated for 24 hrs by Hoechst staining bas...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50470658
PNG
(CHEMBL142409)
Show SMILES Cc1nc(Sc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c2ccccc2n1
Show InChI InChI=1S/C22H16N6S/c1-14-23-20-9-5-4-8-19(20)22(24-14)29-16-12-10-15(11-13-16)17-6-2-3-7-18(17)21-25-27-28-26-21/h2-13H,1H3,(H,25,26,27,28)
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n/an/a 350n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50546122
PNG
(CHEMBL4747630)
Show SMILES CC(C)ON(C[C@H](O)[C@@H](N)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
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n/an/a 350n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luciferase reporter plasmid and VP16-TNFalpha(1-76)-NTF incubated for 24...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50003406
PNG
(2-Methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES Cc1cc(SCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C24H19N5S/c1-16-14-23(21-8-4-5-9-22(21)25-16)30-15-17-10-12-18(13-11-17)19-6-2-3-7-20(19)24-26-28-29-27-24/h2-14H,15H2,1H3,(H,26,27,28,29)
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n/an/a 370n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50546123
PNG
(CHEMBL4789381)
Show SMILES N[C@H]([C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 |r|
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n/an/a 620n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luciferase reporter plasmid and VP16-TNFalpha(1-76)-NTF incubated for 24...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50422411
PNG
(CHEMBL154419)
Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Receptor binding assay(Beta-2 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r...


J Med Chem 45: 567-83 (2002)


BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50546129
PNG
(CHEMBL4785324)
Show SMILES N[C@H]([C@@H](O)CN(C1CCC1)S(=O)(=O)c1ccc2scnc2c1)c1ccccc1 |r|
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n/an/a 840n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luciferase reporter plasmid and VP16-TNFalpha(1-76)-NTF incubated for 24...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50546120
PNG
(CHEMBL4743609)
Show SMILES CC(C)CN(C[C@H](O)[C@@H](N)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
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n/an/a 860n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luciferase reporter plasmid and VP16-TNFalpha(1-76)-NTF incubated for 24...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50546127
PNG
(CHEMBL4753079)
Show SMILES CC1(CCC1)N(C[C@H](O)[C@@H](N)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
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n/an/a 900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luciferase reporter plasmid and VP16-TNFalpha(1-76)-NTF incubated for 24...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50546121
PNG
(CHEMBL4798232)
Show SMILES CC(C)(O)CN(C[C@H](O)[C@@H](N)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
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n/an/a 910n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luciferase reporter plasmid and VP16-TNFalpha(1-76)-NTF incubated for 24...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50422411
PNG
(CHEMBL154419)
Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Receptor binding assay(Beta-1 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r...


J Med Chem 45: 567-83 (2002)


BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50546132
PNG
(CHEMBL4759048)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C[C@H](O)[C@@H](N)c1ccc(OC(F)(F)F)cc1)C1CCC1 |r|
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cells cotransfected with Notch1-VP16-GAL4 fusion and Gal4 luciferase reporter plas...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50470655
PNG
(CHEMBL341724)
Show SMILES Cc1cc(Sc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)ccn1
Show InChI InChI=1S/C19H15N5S/c1-13-12-16(10-11-20-13)25-15-8-6-14(7-9-15)17-4-2-3-5-18(17)19-21-23-24-22-19/h2-12H,1H3,(H,21,22,23,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50546126
PNG
(CHEMBL4741014)
Show SMILES N[C@H]([C@@H](O)CN(C1COC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 |r|
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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luciferase reporter plasmid and VP16-TNFalpha(1-76)-NTF incubated for 24...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50546128
PNG
(CHEMBL4753654)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)N(C[C@H](O)[C@@H](N)c1ccccc1)C1CCC1 |r|
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TBA

Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cells cotransfected with Notch1-VP16-GAL4 fusion and Gal4 luciferase reporter plas...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50422410
PNG
(CHEMBL348501)
Show SMILES C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-18-6-12-24(13-7-18)35(33,34)30-26(32)14-20-8-10-23(11-9-20)29-16-19(2)28-17-25(31)21-4-3-5-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Receptor binding assay(Beta-1 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r...


J Med Chem 45: 567-83 (2002)


BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50546125
PNG
(CHEMBL4792187)
Show SMILES N[C@H]([C@@H](O)CN(C1CCCCCC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 |r|
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cells cotransfected with Notch1-VP16-GAL4 fusion and Gal4 luciferase reporter plas...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50493811
PNG
(CHEMBL2443278)
Show SMILES C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r|
Show InChI InChI=1S/C21H28N2OS/c1-4-12-23-19(7-1)20(10-13-22-16-18-6-5-15-25-18)11-14-24-21(17-20)8-2-3-9-21/h1,4-7,12,15,22H,2-3,8-11,13-14,16-17H2/t20-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Trevena, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by whole-cell patch clamp technique


J Med Chem 56: 8019-31 (2013)


Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50546123
PNG
(CHEMBL4789381)
Show SMILES N[C@H]([C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 |r|
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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cells cotransfected with Notch1-VP16-GAL4 fusion and Gal4 luciferase reporter plas...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50546130
PNG
(CHEMBL4762492)
Show SMILES CC(C)(C)c1cccc(c1)S(=O)(=O)N(C[C@H](O)[C@@H](N)c1ccccc1)C1CCC1 |r|
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n/an/a 3.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cells cotransfected with Notch1-VP16-GAL4 fusion and Gal4 luciferase reporter plas...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50546131
PNG
(CHEMBL4759943)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C[C@H](O)[C@@H](N)c1ccccc1)C1CCC1 |r|
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n/an/a 3.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cells cotransfected with Notch1-VP16-GAL4 fusion and Gal4 luciferase reporter plas...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50546119
PNG
(CHEMBL4762488)
Show SMILES CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
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n/an/a 4.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luciferase reporter plasmid and VP16-TNFalpha(1-76)-NTF incubated for 24...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50493818
PNG
(Oliceridine | TRV-130 | US11124523, Comparative Co...)
Show SMILES COc1ccsc1CNCC[C@]1(CCOC2(CCCC2)C1)c1ccccn1 |r|
Show InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Trevena, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav 1.5 phasic ion channel expressed in HEK293 cells by whole-cell patch clamp technique


J Med Chem 56: 8019-31 (2013)


Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor


(RAT)
BDBM50470656
PNG
(CHEMBL358791)
Show SMILES Cc1cc(Sc2ccc(cc2)-c2ccccc2-c2nnn(n2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C42H31N5S/c1-30-29-40(38-23-13-14-24-39(38)43-30)48-35-27-25-31(26-28-35)36-21-11-12-22-37(36)41-44-46-47(45-41)42(32-15-5-2-6-16-32,33-17-7-3-8-18-33)34-19-9-4-10-20-34/h2-29H,1H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats


J Med Chem 38: 4670-8 (1995)


Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50546118
PNG
(CHEMBL4762370)
Show SMILES CC(C)CN(C[C@H](O)[C@@H](N)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
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n/an/a 4.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cells cotransfected with Notch1-VP16-GAL4 fusion and Gal4 luciferase reporter plas...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50422410
PNG
(CHEMBL348501)
Show SMILES C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-18-6-12-24(13-7-18)35(33,34)30-26(32)14-20-8-10-23(11-9-20)29-16-19(2)28-17-25(31)21-4-3-5-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1
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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Receptor binding assay(Beta-2 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r...


J Med Chem 45: 567-83 (2002)


BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50422409
PNG
(CHEMBL347582)
Show SMILES C[C@H](CNc1cccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-18-9-11-24(12-10-18)35(33,34)30-26(32)14-20-5-3-8-23(13-20)29-16-19(2)28-17-25(31)21-6-4-7-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1
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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Receptor binding assay(Beta-1 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r...


J Med Chem 45: 567-83 (2002)


BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50546124
PNG
(CHEMBL4740837)
Show SMILES N[C@H]([C@@H](O)CN(C1CCC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 |r|
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n/an/a 5.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cells cotransfected with Notch1-VP16-GAL4 fusion and Gal4 luciferase reporter plas...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50546122
PNG
(CHEMBL4747630)
Show SMILES CC(C)ON(C[C@H](O)[C@@H](N)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
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n/an/a 5.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cells cotransfected with Notch1-VP16-GAL4 fusion and Gal4 luciferase reporter plas...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50493818
PNG
(Oliceridine | TRV-130 | US11124523, Comparative Co...)
Show SMILES COc1ccsc1CNCC[C@]1(CCOC2(CCCC2)C1)c1ccccn1 |r|
Show InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Trevena, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by whole-cell patch clamp technique


J Med Chem 56: 8019-31 (2013)


Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50546127
PNG
(CHEMBL4753079)
Show SMILES CC1(CCC1)N(C[C@H](O)[C@@H](N)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cells cotransfected with Notch1-VP16-GAL4 fusion and Gal4 luciferase reporter plas...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00044
BindingDB Entry DOI: 10.7270/Q2S1863Z
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50493811
PNG
(CHEMBL2443278)
Show SMILES C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r|
Show InChI InChI=1S/C21H28N2OS/c1-4-12-23-19(7-1)20(10-13-22-16-18-6-5-15-25-18)11-14-24-21(17-20)8-2-3-9-21/h1,4-7,12,15,22H,2-3,8-11,13-14,16-17H2/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Trevena, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav 1.5 phasic ion channel expressed in HEK293 cells by whole-cell patch clamp technique


J Med Chem 56: 8019-31 (2013)


Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N
More data for this
Ligand-Target Pair
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