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Compile Data Set for Download or QSAR

Found 267 hits with Last Name = 'bhyrapuneni' and Initial = 'g'   
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138119
PNG
(CHEMBL3753475)
Show SMILES O=C1N(CCc2cc(OC3CCN(CC3)C3CCC3)ccc12)C1CCN(CC1)C1CCC1
Show InChI InChI=1S/C27H39N3O2/c31-27-26-8-7-25(32-24-12-16-29(17-13-24)22-5-2-6-22)19-20(26)9-18-30(27)23-10-14-28(15-11-23)21-3-1-4-21/h7-8,19,21-24H,1-6,9-18H2
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0.0300n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138124
PNG
(CHEMBL3753901)
Show SMILES CC(C)N1CCC(C1)N1CCc2cc(OC3CCN(CC3)C(C)C)ccc2C1=O
Show InChI InChI=1/C24H37N3O2/c1-17(2)25-12-9-21(10-13-25)29-22-5-6-23-19(15-22)7-14-27(24(23)28)20-8-11-26(16-20)18(3)4/h5-6,15,17-18,20-21H,7-14,16H2,1-4H3
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0.100n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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0.230n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138119
PNG
(CHEMBL3753475)
Show SMILES O=C1N(CCc2cc(OC3CCN(CC3)C3CCC3)ccc12)C1CCN(CC1)C1CCC1
Show InChI InChI=1S/C27H39N3O2/c31-27-26-8-7-25(32-24-12-16-29(17-13-24)22-5-2-6-22)19-20(26)9-18-30(27)23-10-14-28(15-11-23)21-3-1-4-21/h7-8,19,21-24H,1-6,9-18H2
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0.800n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50019754
PNG
(IDALOPIRDINE | LU-AE58054)
Show SMILES FC(F)C(F)(F)COc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1
Show InChI InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2
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0.830n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138120
PNG
(CHEMBL3753093)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)
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0.900n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138123
PNG
(CHEMBL3753703)
Show SMILES CC(C)CN1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1/C23H37N3O2/c1-17(2)15-25-12-9-20(16-25)24-23(27)19-5-7-21(8-6-19)28-22-10-13-26(14-11-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27)
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1n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138122
PNG
(CHEMBL3752655)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1/C24H37N3O2/c1-18(2)27-14-11-20(17-27)25-24(28)19-7-9-22(10-8-19)29-23-12-15-26(16-13-23)21-5-3-4-6-21/h7-10,18,20-21,23H,3-6,11-17H2,1-2H3,(H,25,28)
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1n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138117
PNG
(CHEMBL3753315)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2C(=O)N(CCc2c1)C1CCN(C1)C1CCC1
Show InChI InChI=1/C25H37N3O2/c1-18(2)26-13-10-22(11-14-26)30-23-6-7-24-19(16-23)8-15-28(25(24)29)21-9-12-27(17-21)20-4-3-5-20/h6-7,16,18,20-22H,3-5,8-15,17H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138123
PNG
(CHEMBL3753703)
Show SMILES CC(C)CN1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1/C23H37N3O2/c1-17(2)15-25-12-9-20(16-25)24-23(27)19-5-7-21(8-6-19)28-22-10-13-26(14-11-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27)
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1.20n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50044616
PNG
(CERLAPIRDINE | Cerlapirdine | PF-05212365 | SAM-53...)
Show SMILES CN(C)CCCOc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H23N3O3S/c1-25(2)13-6-14-28-17-11-12-20-19(15-17)22(24-23-20)29(26,27)21-10-5-8-16-7-3-4-9-18(16)21/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,24)
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1.30n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Effective concentration required for agonistic activity at Metabotropic glutamate receptor 2


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236846
PNG
(CHEMBL4080401)
Show SMILES O.O.CS(O)(=O)=O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCNCC3)c2c1)S(=O)(=O)c1ccccc1Br
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1.30n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian Geranylgeranyl transferase type I expressed in baculovirus


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236844
PNG
(CHEMBL4100484)
Show SMILES CS(O)(=O)=O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccc(cc1)C(C)C
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1.60n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138106
PNG
(CHEMBL3753814)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H37N3O2/c1-18(2)26-14-10-20(11-15-26)25-24(28)19-6-8-22(9-7-19)29-23-12-16-27(17-13-23)21-4-3-5-21/h6-9,18,20-21,23H,3-5,10-17H2,1-2H3,(H,25,28)
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1.60n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236780
PNG
(CHEMBL4068232)
Show SMILES CCN1CCN(Cc2cn(c3ccc(OC)cc23)S(=O)(=O)c2ccc(cc2)C(C)C)CC1
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1.70n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138118
PNG
(CHEMBL3754200)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2C(=O)N(CCc2c1)C1CCN(CC1)C1CCC1
Show InChI InChI=1S/C26H39N3O2/c1-19(2)27-15-11-23(12-16-27)31-24-6-7-25-20(18-24)8-17-29(26(25)30)22-9-13-28(14-10-22)21-4-3-5-21/h6-7,18-19,21-23H,3-5,8-17H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236754
PNG
(CHEMBL4082473)
Show SMILES O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1Br
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2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Effective concentration required for partial agonistic activity at Metabotropic glutamate receptor 2; Partial agonist


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236756
PNG
(CHEMBL4101284)
Show SMILES Cl.Cl.COc1ccc2n(cc(CN3CCCN(C)CC3)c2c1)S(=O)(=O)c1ccc(cc1)C(C)C
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2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34141
PNG
(CHEMBL76237 | MS-245)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
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2.10n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6 receptor


Bioorg Med Chem Lett 21: 4577-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.106
BindingDB Entry DOI: 10.7270/Q2GH9JBN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236773
PNG
(CHEMBL4065437)
Show SMILES CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2ccc(Br)cc2)CC1
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2.10n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138124
PNG
(CHEMBL3753901)
Show SMILES CC(C)N1CCC(C1)N1CCc2cc(OC3CCN(CC3)C(C)C)ccc2C1=O
Show InChI InChI=1/C24H37N3O2/c1-17(2)25-12-9-21(10-13-25)29-22-5-6-23-19(15-22)7-14-27(24(23)28)20-8-11-26(16-20)18(3)4/h5-6,15,17-18,20-21H,7-14,16H2,1-4H3
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2.10n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138104
PNG
(CHEMBL3754209)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(cc1)C(=O)NC1CCN(C1)C1CCC1
Show InChI InChI=1/C23H35N3O2/c1-17(2)25-14-11-22(12-15-25)28-21-8-6-18(7-9-21)23(27)24-19-10-13-26(16-19)20-4-3-5-20/h6-9,17,19-20,22H,3-5,10-16H2,1-2H3,(H,24,27)
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2.5n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236832
PNG
(CHEMBL4093699)
Show SMILES Cl.Cl.CC(C)c1ccc(cc1)S(=O)(=O)n1cc(CN2CCN(C)CC2)c2cc(F)ccc12
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4n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236806
PNG
(CHEMBL4100411)
Show SMILES COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1
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4.30n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian Geranylgeranyl transferase type I expressed in baculovirus


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236831
PNG
(CHEMBL4077537)
Show SMILES Cl.Cl.Brc1ccccc1S(=O)(=O)n1cc(CN2CCNCC2)c2ccccc12
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4.5n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236836
PNG
(CHEMBL4073586)
Show SMILES CS(O)(=O)=O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccc(F)cc1
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5n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138125
PNG
(BAVISANT | Bavisant | JNJ-31001074)
Show SMILES O=C(N1CCN(CC1)C1CC1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C19H27N3O2/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20/h1-4,18H,5-15H2
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5.40n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138113
PNG
(CHEMBL3753170)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(C(=O)NC2CCN(C2)C2CCC2)c(F)c1
Show InChI InChI=1/C23H34FN3O2/c1-16(2)26-12-9-19(10-13-26)29-20-6-7-21(22(24)14-20)23(28)25-17-8-11-27(15-17)18-4-3-5-18/h6-7,14,16-19H,3-5,8-13,15H2,1-2H3,(H,25,28)
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5.70n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236843
PNG
(CHEMBL4105377)
Show SMILES Cl.Cl.COc1ccc2n(cc(CN3CCNCC3)c2c1)S(=O)(=O)c1ccc(cc1)C(C)C
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5.70n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138120
PNG
(CHEMBL3753093)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)
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5.70n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236792
PNG
(CHEMBL4083289)
Show SMILES COc1ccc2n(cc(CN3CCCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1Br
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5.70n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236777
PNG
(CHEMBL4097459)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(CN2CCN(C)CC2)c2ccccc12
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6n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236833
PNG
(CHEMBL4062687)
Show SMILES Cl.Cl.CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2ccccc2)CC1
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6n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138112
PNG
(CHEMBL3753147)
Show SMILES Clc1cc(OC2CCN(CC2)C2CCC2)ccc1C(=O)NC1CCN(CC1)C1CCC1
Show InChI InChI=1S/C25H36ClN3O2/c26-24-17-22(31-21-11-15-29(16-12-21)20-5-2-6-20)7-8-23(24)25(30)27-18-9-13-28(14-10-18)19-3-1-4-19/h7-8,17-21H,1-6,9-16H2,(H,27,30)
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6.70n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236821
PNG
(CHEMBL4075502)
Show SMILES CCN1CCN(Cc2cn(c3ccc(OC)cc23)S(=O)(=O)c2ccccc2Br)CC1
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6.70n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236834
PNG
(CHEMBL4073450)
Show SMILES CS(O)(=O)=O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCNCC3)c2c1)S(=O)(=O)c1ccc(F)cc1
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6.90n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138111
PNG
(CHEMBL3751915)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1Cl
Show InChI InChI=1S/C24H36ClN3O2/c1-17(2)27-12-8-18(9-13-27)26-24(29)22-7-6-21(16-23(22)25)30-20-10-14-28(15-11-20)19-4-3-5-19/h6-7,16-20H,3-5,8-15H2,1-2H3,(H,26,29)
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7n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138107
PNG
(CHEMBL3753304)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(cc1F)C(=O)NC1CCN(C1)C1CCC1
Show InChI InChI=1/C23H34FN3O2/c1-16(2)26-12-9-20(10-13-26)29-22-7-6-17(14-21(22)24)23(28)25-18-8-11-27(15-18)19-4-3-5-19/h6-7,14,16,18-20H,3-5,8-13,15H2,1-2H3,(H,25,28)
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7.30n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236803
PNG
(CHEMBL4095054)
Show SMILES O=S(=O)(c1ccccc1)n1cc(CN2CCNCC2)c2ccccc12
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7.5n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236801
PNG
(CHEMBL4092681)
Show SMILES COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1cccc2ccccc12
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7.80n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against fucosyltransferase (FucT V) in the presence of 1 mM fucosyl acceptor N-acetyllactosamine


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236839
PNG
(CHEMBL4083893)
Show SMILES Cl.Cl.COc1ccc2n(cc(CN3CCCN(C)CC3)c2c1)S(=O)(=O)c1ccc(F)cc1
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7.80n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236810
PNG
(CHEMBL4103281)
Show SMILES CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2ccccc2F)CC1
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7.80n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138105
PNG
(CHEMBL3752081)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C23H37N3O2/c1-17(2)25-13-9-20(10-14-25)24-23(27)19-5-7-21(8-6-19)28-22-11-15-26(16-12-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27)
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8.30n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138122
PNG
(CHEMBL3752655)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1/C24H37N3O2/c1-18(2)27-14-11-20(17-27)25-24(28)19-7-9-22(10-8-19)29-23-12-15-26(16-13-23)21-5-3-4-6-21/h7-10,18,20-21,23H,3-6,11-17H2,1-2H3,(H,25,28)
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8.60n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236793
PNG
(CHEMBL4064478)
Show SMILES CCN1CCN(Cc2cn(c3ccc(OC)cc23)S(=O)(=O)c2ccccc2)CC1
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8.80n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236812
PNG
(CHEMBL4070284)
Show SMILES CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2ccc(F)cc2)CC1
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8.80n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236788
PNG
(CHEMBL4085949)
Show SMILES CN1CCN(Cc2cn(c3ccc(F)cc23)S(=O)(=O)c2ccc(Br)cc2)CC1
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9.20n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236808
PNG
(CHEMBL4071816)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(CN2CCN(C)CC2)c2c(Cl)cccc12
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9.20n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138114
PNG
(CHEMBL3753764)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(C(=O)NC2CCN(C2)C2CCC2)c(C)c1
Show InChI InChI=1/C24H37N3O2/c1-17(2)26-13-10-21(11-14-26)29-22-7-8-23(18(3)15-22)24(28)25-19-9-12-27(16-19)20-5-4-6-20/h7-8,15,17,19-21H,4-6,9-14,16H2,1-3H3,(H,25,28)
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9.20n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
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