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Compile Data Set for Download or QSAR

Found 2344 hits with Last Name = 'chen' 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
Replicase polyprotein 1ab


(BtCoV)		BDBM420298
PNG
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
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 0.0330n/an/an/an/an/an/an/an/a



Pfizer Inc.



Assay Description
PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...

bioRxiv (2020)


Article DOI: 10.1101/2020.09.12.293498
BindingDB Entry DOI: 10.7270/Q2VQ352Q
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50356880
PNG
(CHEMBL1915536)
Show SMILES CNC1CN(C1)c1cc(NCC(C)(C)C)nc(N)n1
Show InChI InChI=1S/C13H24N6/c1-13(2,3)8-16-10-5-11(18-12(14)17-10)19-6-9(7-19)15-4/h5,9,15H,6-8H2,1-4H3,(H3,14,16,17,18)
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 0.0340n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at full length human H4R expressed in HEK293 cells assessed as reversal of forskolin-induced cAMP production by CRE-beta-lactamas...

Bioorg Med Chem Lett 21: 6596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.125
BindingDB Entry DOI: 10.7270/Q20C4W6C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(BtCoV)		BDBM420298
PNG
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
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 0.0340n/an/an/an/an/an/an/an/a



Pfizer Inc.



Assay Description
PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...

bioRxiv (2020)


Article DOI: 10.1101/2020.09.12.293498
BindingDB Entry DOI: 10.7270/Q2VQ352Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50318625
PNG
(CHEMBL1083654 | N-Methyl-(3-phenylsulfonyl)-7,8-di...)
Show SMILES CNc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N4O2S/c1-17-15-14(23(21,22)12-7-3-2-4-8-12)16-18-10-11-6-5-9-13(11)20(16)19-15/h2-4,7-8,10H,5-6,9H2,1H3,(H,17,19)
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 0.0880n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor expressed in human HeLa cells

J Med Chem 53: 5186-96 (2010)


Article DOI: 10.1021/jm100350r
BindingDB Entry DOI: 10.7270/Q26T0NMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50318626
PNG
(CHEMBL1082763 | N-Methyl-(3-phenylsulfonyl)-6,7,8,...)
Show SMILES CNc1nn2c3CCCCc3cnc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H18N4O2S/c1-18-16-15(24(22,23)13-8-3-2-4-9-13)17-19-11-12-7-5-6-10-14(12)21(17)20-16/h2-4,8-9,11H,5-7,10H2,1H3,(H,18,20)
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 0.112n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor expressed in human HeLa cells

J Med Chem 53: 5186-96 (2010)


Article DOI: 10.1021/jm100350r
BindingDB Entry DOI: 10.7270/Q26T0NMP
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Feline coronavirus (strain FIPV WSU-79/1146) (FCoV...)		BDBM420298
PNG
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
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 0.120n/an/an/an/an/an/an/an/a



Pfizer Inc.



Assay Description
PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...

bioRxiv (2020)


Article DOI: 10.1101/2020.09.12.293498
BindingDB Entry DOI: 10.7270/Q2VQ352Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50358778
PNG
(CHEMBL1922616)
Show SMILES CNc1nn2c(N)c(Cl)c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H14ClN5O2S/c1-8-10(15)12(16)20-14(18-8)11(13(17-2)19-20)23(21,22)9-6-4-3-5-7-9/h3-7H,16H2,1-2H3,(H,17,19)
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 0.140n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-HT6 receptor expressed in human HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation

J Med Chem 54: 8161-73 (2011)


Article DOI: 10.1021/jm201079g
BindingDB Entry DOI: 10.7270/Q2X067F0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))		BDBM50222915
PNG
(4'-[5-(4-pyrrolidin-1-ylmethyl-phenylamino)-1H-pyr...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CN3CCCC3)cc2)[nH]n1
Show InChI InChI=1S/C26H26N4O2/c31-22-11-12-23(25(32)15-22)19-5-7-20(8-6-19)24-16-26(29-28-24)27-21-9-3-18(4-10-21)17-30-13-1-2-14-30/h3-12,15-16,31-32H,1-2,13-14,17H2,(H2,27,28,29)
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 0.180n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system

J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50417934
PNG
(CHEMBL1668590 | US8829009, 1.1(7))
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H15ClN4O2S/c1-9-7-10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)12-6-4-5-11(16)8-12/h4-8H,1-3H3,(H,17,19)
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 0.186n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...

Bioorg Med Chem 19: 1482-91 (2011)


Article DOI: 10.1016/j.bmc.2010.12.055
BindingDB Entry DOI: 10.7270/Q21G0NJS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))		BDBM50222916
PNG
(4'-{5-[4-(dimethylamino-methyl)-phenylamino]-2H-py...)
Show SMILES CN(C)Cc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C24H24N4O2/c1-28(2)15-16-3-9-19(10-4-16)25-24-14-22(26-27-24)18-7-5-17(6-8-18)21-12-11-20(29)13-23(21)30/h3-14,29-30H,15H2,1-2H3,(H2,25,26,27)
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 0.190n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system

J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))		BDBM50222920
PNG
(4'-{5-[6-(sec-butylamino-methyl)-pyridin-3-ylamino...)
Show SMILES CCC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cn1
Show InChI InChI=1S/C25H27N5O2/c1-3-16(2)26-14-19-8-9-20(15-27-19)28-25-13-23(29-30-25)18-6-4-17(5-7-18)22-11-10-21(31)12-24(22)32/h4-13,15-16,26,31-32H,3,14H2,1-2H3,(H2,28,29,30)
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 0.200n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system

J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
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 0.200n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor

Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50318627
PNG
(CHEMBL1083075 | N,5-Dimethyl-3-(phenylsulfonyl)-7,...)
Show SMILES CNc1nn2c3CCCc3c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H18N4O2S/c1-11-13-9-6-10-14(13)21-17(19-11)15(16(18-2)20-21)24(22,23)12-7-4-3-5-8-12/h3-5,7-8H,6,9-10H2,1-2H3,(H,18,20)
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 0.202n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor expressed in human HeLa cells

J Med Chem 53: 5186-96 (2010)


Article DOI: 10.1021/jm100350r
BindingDB Entry DOI: 10.7270/Q26T0NMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(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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 0.234n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6 receptor

J Med Chem 53: 5186-96 (2010)


Article DOI: 10.1021/jm100350r
BindingDB Entry DOI: 10.7270/Q26T0NMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50417915
PNG
(CHEMBL1668586 | US8618114, 1.2.3(1))
Show SMILES CNc1nn2c(C)ccnc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H14N4O2S/c1-10-8-9-16-14-12(13(15-2)17-18(10)14)21(19,20)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,15,17)
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 0.240n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...

Bioorg Med Chem 19: 1482-91 (2011)


Article DOI: 10.1016/j.bmc.2010.12.055
BindingDB Entry DOI: 10.7270/Q21G0NJS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50318624
PNG
(CHEMBL1082762 | N,9-Dimethyl-3-(phenylsulfonyl)-5,...)
Show SMILES CNc1nn2c(C)c3CCCCc3nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N4O2S/c1-12-14-10-6-7-11-15(14)20-18-16(17(19-2)21-22(12)18)25(23,24)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,19,21)
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 0.256n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor expressed in human HeLa cells

J Med Chem 53: 5186-96 (2010)


Article DOI: 10.1021/jm100350r
BindingDB Entry DOI: 10.7270/Q26T0NMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
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 0.257n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...

Bioorg Med Chem 19: 1482-91 (2011)


Article DOI: 10.1016/j.bmc.2010.12.055
BindingDB Entry DOI: 10.7270/Q21G0NJS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50318626
PNG
(CHEMBL1082763 | N-Methyl-(3-phenylsulfonyl)-6,7,8,...)
Show SMILES CNc1nn2c3CCCCc3cnc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H18N4O2S/c1-18-16-15(24(22,23)13-8-3-2-4-9-13)17-19-11-12-7-5-6-10-14(12)21(17)20-16/h2-4,8-9,11H,5-7,10H2,1H3,(H,18,20)
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 0.259n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP release

J Med Chem 53: 5186-96 (2010)


Article DOI: 10.1021/jm100350r
BindingDB Entry DOI: 10.7270/Q26T0NMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
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 0.260n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-HT6 receptor expressed in human HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation

J Med Chem 54: 8161-73 (2011)


Article DOI: 10.1021/jm201079g
BindingDB Entry DOI: 10.7270/Q2X067F0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50340725
PNG
(CHEMBL1668584 | N,5,7-trimethyl-3-(phenylsulfonyl)...)
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
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 0.260n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production after 2 ...

Eur J Med Chem 46: 1189-97 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.038
BindingDB Entry DOI: 10.7270/Q2HT2PMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50417916
PNG
(CHEMBL1668564 | US8618114, 1.2.5(1))
Show SMILES CNc1nn2c(C)cc(COC)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H18N4O3S/c1-11-9-12(10-23-3)18-16-14(15(17-2)19-20(11)16)24(21,22)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,17,19)
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 0.269n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...

Bioorg Med Chem 19: 1482-91 (2011)


Article DOI: 10.1016/j.bmc.2010.12.055
BindingDB Entry DOI: 10.7270/Q21G0NJS
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM420298
PNG
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
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 0.270n/an/an/an/an/an/an/an/a



Pfizer Inc.



Assay Description
PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...

bioRxiv (2020)


Article DOI: 10.1101/2020.09.12.293498
BindingDB Entry DOI: 10.7270/Q2VQ352Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50417917
PNG
(CHEMBL1668565 | US8618114, 1.2.6(1))
Show SMILES CNc1nn2c(CO)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O3S/c1-10-8-11(9-20)19-15(17-10)13(14(16-2)18-19)23(21,22)12-6-4-3-5-7-12/h3-8,20H,9H2,1-2H3,(H,16,18)
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 0.282n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...

Bioorg Med Chem 19: 1482-91 (2011)


Article DOI: 10.1016/j.bmc.2010.12.055
BindingDB Entry DOI: 10.7270/Q21G0NJS
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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 0.300n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS

Nat Chem Biol 2: 207-12 (2006)


Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Replicase polyprotein 1ab


(PEDV)		BDBM420298
PNG
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
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 0.300n/an/an/an/an/an/an/an/a



Pfizer Inc.



Assay Description
PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...

bioRxiv (2020)


Article DOI: 10.1101/2020.09.12.293498
BindingDB Entry DOI: 10.7270/Q2VQ352Q
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))		BDBM50222917
PNG
(4'-[5-(6-piperidin-1-ylmethyl-pyridin-3-ylamino)-1...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CN3CCCCC3)nc2)[nH]n1
Show InChI InChI=1S/C26H27N5O2/c32-22-10-11-23(25(33)14-22)18-4-6-19(7-5-18)24-15-26(30-29-24)28-20-8-9-21(27-16-20)17-31-12-2-1-3-13-31/h4-11,14-16,32-33H,1-3,12-13,17H2,(H2,28,29,30)
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 0.300n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system

J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))		BDBM50222913
PNG
(4'-{5-[4-(isopropylamino-methyl)-phenylamino]-2H-p...)
Show SMILES CC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C25H26N4O2/c1-16(2)26-15-17-3-9-20(10-4-17)27-25-14-23(28-29-25)19-7-5-18(6-8-19)22-12-11-21(30)13-24(22)31/h3-14,16,26,30-31H,15H2,1-2H3,(H2,27,28,29)
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 0.360n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system

J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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 0.370n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in HEK293 cells by radioligand binding assay

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00685
BindingDB Entry DOI: 10.7270/Q2930Z2X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50318625
PNG
(CHEMBL1083654 | N-Methyl-(3-phenylsulfonyl)-7,8-di...)
Show SMILES CNc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N4O2S/c1-17-15-14(23(21,22)12-7-3-2-4-8-12)16-18-10-11-6-5-9-13(11)20(16)19-15/h2-4,7-8,10H,5-6,9H2,1H3,(H,17,19)
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 0.375n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP release

J Med Chem 53: 5186-96 (2010)


Article DOI: 10.1021/jm100350r
BindingDB Entry DOI: 10.7270/Q26T0NMP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))		BDBM50222914
PNG
(4'-[5-(4-cyclopropylaminomethyl-phenylamino)-2H-py...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CNC3CC3)cc2)[nH]n1
Show InChI InChI=1S/C25H24N4O2/c30-21-11-12-22(24(31)13-21)17-3-5-18(6-4-17)23-14-25(29-28-23)27-20-7-1-16(2-8-20)15-26-19-9-10-19/h1-8,11-14,19,26,30-31H,9-10,15H2,(H2,27,28,29)
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 0.380n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system

J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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 0.380n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of E2-Alexa633 from GFP-tagged ERbeta expressed in COS7 cells by FACS

Nat Chem Biol 2: 207-12 (2006)


Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50417920
PNG
(CHEMBL1668592 | US8829009, 1.1(3))
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H15FN4O2S/c1-9-8-10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)12-6-4-11(16)5-7-12/h4-8H,1-3H3,(H,17,19)
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 0.398n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...

Bioorg Med Chem 19: 1482-91 (2011)


Article DOI: 10.1016/j.bmc.2010.12.055
BindingDB Entry DOI: 10.7270/Q21G0NJS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50318627
PNG
(CHEMBL1083075 | N,5-Dimethyl-3-(phenylsulfonyl)-7,...)
Show SMILES CNc1nn2c3CCCc3c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H18N4O2S/c1-11-13-9-6-10-14(13)21-17(19-11)15(16(18-2)20-21)24(22,23)12-7-4-3-5-8-12/h3-5,7-8H,6,9-10H2,1-2H3,(H,18,20)
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 0.413n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP release

J Med Chem 53: 5186-96 (2010)


Article DOI: 10.1021/jm100350r
BindingDB Entry DOI: 10.7270/Q26T0NMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50314762
PNG
(5-methyl-2-(methylthio)-3-(phenylsulfonyl)-6,7,8,9...)
Show SMILES CSc1nn2c3CCCCc3c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S2/c1-12-14-10-6-7-11-15(14)21-17(19-12)16(18(20-21)24-2)25(22,23)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3
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 0.440n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor in humanHeLa cells after 120 mins

Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50314759
PNG
(2-(methylthio)-3-(phenylsulfonyl)-7,8-dihydro-6H-c...)
Show SMILES CSc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H15N3O2S2/c1-22-16-14(23(20,21)12-7-3-2-4-8-12)15-17-10-11-6-5-9-13(11)19(15)18-16/h2-4,7-8,10H,5-6,9H2,1H3
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 0.458n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor in humanHeLa cells after 120 mins

Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50417933
PNG
(CHEMBL1668588 | US8618114, 1.2.7(1))
Show SMILES CNc1nn2c(C)cc(CO)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H16N4O3S/c1-10-8-11(9-20)17-15-13(14(16-2)18-19(10)15)23(21,22)12-6-4-3-5-7-12/h3-8,20H,9H2,1-2H3,(H,16,18)
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 0.479n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...

Bioorg Med Chem 19: 1482-91 (2011)


Article DOI: 10.1016/j.bmc.2010.12.055
BindingDB Entry DOI: 10.7270/Q21G0NJS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50318628
PNG
(CHEMBL1083076 | N,5-Dimethyl-3-(phenylsulfonyl)-6,...)
Show SMILES CNc1nn2c3CCCCc3c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N4O2S/c1-12-14-10-6-7-11-15(14)22-18(20-12)16(17(19-2)21-22)25(23,24)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,19,21)
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 0.490n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor expressed in human HeLa cells

J Med Chem 53: 5186-96 (2010)


Article DOI: 10.1021/jm100350r
BindingDB Entry DOI: 10.7270/Q26T0NMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50318623
PNG
(CHEMBL1082761 | N-Methyl-3-(phenylsulfonyl)-5,6,7,...)
Show SMILES CNc1nn2cc3CCCCc3nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H18N4O2S/c1-18-16-15(24(22,23)13-8-3-2-4-9-13)17-19-14-10-6-5-7-12(14)11-21(17)20-16/h2-4,8-9,11H,5-7,10H2,1H3,(H,18,20)
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 0.499n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor expressed in human HeLa cells

J Med Chem 53: 5186-96 (2010)


Article DOI: 10.1021/jm100350r
BindingDB Entry DOI: 10.7270/Q26T0NMP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))		BDBM50222921
PNG
(3-(1H-benzo[d]imidazol-2-yl)-N-(2,4-dihydroxypheny...)
Show SMILES Oc1ccc(NC(=O)c2ccc3c(n[nH]c3c2)-c2nc3ccccc3[nH]2)c(O)c1
Show InChI InChI=1S/C21H15N5O3/c27-12-6-8-16(18(28)10-12)24-21(29)11-5-7-13-17(9-11)25-26-19(13)20-22-14-3-1-2-4-15(14)23-20/h1-10,27-28H,(H,22,23)(H,24,29)(H,25,26)
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 0.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system

J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50417919
PNG
(CHEMBL1668591 | US8829009, 1.1(5))
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C15H15FN4O2S/c1-9-7-10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)12-6-4-5-11(16)8-12/h4-8H,1-3H3,(H,17,19)
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 0.501n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...

Bioorg Med Chem 19: 1482-91 (2011)


Article DOI: 10.1016/j.bmc.2010.12.055
BindingDB Entry DOI: 10.7270/Q21G0NJS
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-OC43)		BDBM420298
PNG
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
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PubMed
 0.510n/an/an/an/an/an/an/an/a



Pfizer Inc.



Assay Description
PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...

bioRxiv (2020)


Article DOI: 10.1101/2020.09.12.293498
BindingDB Entry DOI: 10.7270/Q2VQ352Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50318623
PNG
(CHEMBL1082761 | N-Methyl-3-(phenylsulfonyl)-5,6,7,...)
Show SMILES CNc1nn2cc3CCCCc3nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H18N4O2S/c1-18-16-15(24(22,23)13-8-3-2-4-9-13)17-19-14-10-6-5-7-12(14)11-21(17)20-16/h2-4,8-9,11H,5-7,10H2,1H3,(H,18,20)
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 0.542n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP release

J Med Chem 53: 5186-96 (2010)


Article DOI: 10.1021/jm100350r
BindingDB Entry DOI: 10.7270/Q26T0NMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50314760
PNG
(2-(methylthio)-3-(phenylsulfonyl)-6,7,8,9-tetrahyd...)
Show SMILES CSc1nn2c3CCCCc3cnc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H17N3O2S2/c1-23-17-15(24(21,22)13-8-3-2-4-9-13)16-18-11-12-7-5-6-10-14(12)20(16)19-17/h2-4,8-9,11H,5-7,10H2,1H3
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 0.549n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor in humanHeLa cells after 120 mins

Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50417904
PNG
(CHEMBL1668568 | US8618114, 1.1.6(1))
Show SMILES CSc1nn2c(CO)cc(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H15N3O3S2/c1-10-8-11(9-19)18-14(16-10)13(15(17-18)22-2)23(20,21)12-6-4-3-5-7-12/h3-8,19H,9H2,1-2H3
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 0.562n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...

Bioorg Med Chem 19: 1482-91 (2011)


Article DOI: 10.1016/j.bmc.2010.12.055
BindingDB Entry DOI: 10.7270/Q21G0NJS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50417936
PNG
(CHEMBL1668596 | US8829009, 1.1(9))
Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H14ClFN4O2S/c1-8-6-9(2)21-15(19-8)13(14(18-3)20-21)24(22,23)10-4-5-12(17)11(16)7-10/h4-7H,1-3H3,(H,18,20)
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 0.603n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...

Bioorg Med Chem 19: 1482-91 (2011)


Article DOI: 10.1016/j.bmc.2010.12.055
BindingDB Entry DOI: 10.7270/Q21G0NJS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50314763
PNG
(9-methyl-2-(methylthio)-3-(phenylsulfonyl)-5,6,7,8...)
Show SMILES CSc1nn2c(C)c3CCCCc3nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S2/c1-12-14-10-6-7-11-15(14)19-17-16(18(24-2)20-21(12)17)25(22,23)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3
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 0.680n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor in humanHeLa cells after 120 mins

Bioorg Med Chem Lett 20: 2133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.046
BindingDB Entry DOI: 10.7270/Q2V40VBK
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(BtCoV)		BDBM420298
PNG
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
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 0.740n/an/an/an/an/an/an/an/a



Pfizer Inc.



Assay Description
PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...

bioRxiv (2020)


Article DOI: 10.1101/2020.09.12.293498
BindingDB Entry DOI: 10.7270/Q2VQ352Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50417906
PNG
(CHEMBL1668571 | US8552005, 1.1(11))
Show SMILES CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H14ClN3O2S2/c1-9-7-10(2)19-14(17-9)13(15(18-19)22-3)23(20,21)12-6-4-5-11(16)8-12/h4-8H,1-3H3
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 0.759n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...

Bioorg Med Chem 19: 1482-91 (2011)


Article DOI: 10.1016/j.bmc.2010.12.055
BindingDB Entry DOI: 10.7270/Q21G0NJS
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-NL63)		BDBM420298
PNG
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
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 0.770n/an/an/an/an/an/an/an/a



Pfizer Inc.



Assay Description
PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...

bioRxiv (2020)


Article DOI: 10.1101/2020.09.12.293498
BindingDB Entry DOI: 10.7270/Q2VQ352Q
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))		BDBM50222919
PNG
(4'-(5-{6-[(cyclopropylmethyl-amino)-methyl]-pyridi...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CNCC3CC3)nc2)[nH]n1
Show InChI InChI=1S/C25H25N5O2/c31-21-9-10-22(24(32)11-21)17-3-5-18(6-4-17)23-12-25(30-29-23)28-20-8-7-19(27-15-20)14-26-13-16-1-2-16/h3-12,15-16,26,31-32H,1-2,13-14H2,(H2,28,29,30)
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 0.800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system

J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
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