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Compile Data Set for Download or QSAR

Found 87 hits of ic50 for UniProtKB: P25021   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50172414
PNG
(2-(2,4-Dichloro-phenoxy)-N-[2-(2-dimethylamino-eth...)
Show SMILES CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28)
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n/an/a 0.870n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against histamine H2 receptor


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50103595
PNG
(Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...)
Show SMILES CN\C(NC#N)=N/CCSCc1nc[nH]c1C
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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n/an/a 1n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]APT from human recombinant H2 receptor expressed in CHO cells measured after 120 mins by scintillation counting method


Bioorg Med Chem 25: 471-482 (2017)


Article DOI: 10.1016/j.bmc.2016.11.014
BindingDB Entry DOI: 10.7270/Q2CF9S3S
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM22568
PNG
(1-cyano-3-{2-[({2-[(diaminomethylidene)amino]-1,3-...)
Show SMILES [#6]-[#7]-[#6](-[#7]C#N)=[#7]-[#6]-[#6]-[#16]-[#6]-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |w:6.6|
Show InChI InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18)
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n/an/a 22n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Displacement of [125I]Aminopotentidine from human recombinant histamine H2 receptor expressed in CHOK1 cells after 2 hrs


Bioorg Med Chem Lett 23: 1834-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.025
BindingDB Entry DOI: 10.7270/Q2P55PWC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156855
PNG
(3-(2-(4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3cccc(c3)C(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C26H32N2O4/c1-2-31-16-15-28-19-24(23-8-3-4-9-25(23)28)20-10-12-27(13-11-20)14-17-32-22-7-5-6-21(18-22)26(29)30/h3-9,18-20H,2,10-17H2,1H3,(H,29,30)
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n/an/a 123n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50403559
PNG
(Brumetadina | CIMETIDINE)
Show SMILES CNC(NCCSCc1[nH]cnc1C)=NC#N |w:14.15|
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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n/an/a 140n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor by radioligand displacement assay


Eur J Med Chem 63: 85-94 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.044
BindingDB Entry DOI: 10.7270/Q2JH3NKC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156856
PNG
(2-(2-(4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3ccc(C)cc3C(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C27H34N2O4/c1-3-32-16-15-29-19-24(22-6-4-5-7-25(22)29)21-10-12-28(13-11-21)14-17-33-26-9-8-20(2)18-23(26)27(30)31/h4-9,18-19,21H,3,10-17H2,1-2H3,(H,30,31)
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n/an/a 225n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156857
PNG
(2-(2-(4-(1-(2-ethoxyethyl)-6-fluoro-1H-indol-3-yl)...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C26H31FN2O4/c1-2-32-15-14-29-18-23(21-8-7-20(27)17-24(21)29)19-9-11-28(12-10-19)13-16-33-25-6-4-3-5-22(25)26(30)31/h3-8,17-19H,2,9-16H2,1H3,(H,30,31)
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n/an/a 260n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50403559
PNG
(Brumetadina | CIMETIDINE)
Show SMILES CNC(NCCSCc1[nH]cnc1C)=NC#N |w:14.15|
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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n/an/a 270n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor by radioligand displacement assay


Bioorg Med Chem 21: 2764-71 (2013)


Article DOI: 10.1016/j.bmc.2013.03.016
BindingDB Entry DOI: 10.7270/Q2N87C5Q
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50105105
PNG
(CHEMBL116463 | {1-[4,4-Bis-(4-fluoro-phenyl)-butyl...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)NC(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C31H33F2N3O2/c32-27-11-7-25(8-12-27)30(26-9-13-28(33)14-10-26)2-1-18-36-19-15-29(16-20-36)35-31(37)38-21-17-23-3-5-24(22-34)6-4-23/h3-14,29-30H,1-2,15-21H2,(H,35,37)
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n/an/a 368n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156878
PNG
(2-(2-(4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3c(Br)cc(Br)cc3C(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C26H30Br2N2O4/c1-2-33-13-12-30-17-22(20-5-3-4-6-24(20)30)18-7-9-29(10-8-18)11-14-34-25-21(26(31)32)15-19(27)16-23(25)28/h3-6,15-18H,2,7-14H2,1H3,(H,31,32)
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n/an/a 500n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156892
PNG
(2-(2-(4-(1-(thiophen-2-ylmethyl)-1H-indol-3-yl)pip...)
Show SMILES OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2cccs2)c2ccccc12
Show InChI InChI=1S/C27H28N2O3S/c30-27(31)23-8-2-4-10-26(23)32-16-15-28-13-11-20(12-14-28)24-19-29(18-21-6-5-17-33-21)25-9-3-1-7-22(24)25/h1-10,17,19-20H,11-16,18H2,(H,30,31)
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n/an/a 500n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156900
PNG
(2-(2-(4-(1-(2-ethoxyethyl)-5-fluoro-1H-indol-3-yl)...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C26H31FN2O4/c1-2-32-15-14-29-18-23(22-17-20(27)7-8-24(22)29)19-9-11-28(12-10-19)13-16-33-25-6-4-3-5-21(25)26(30)31/h3-8,17-19H,2,9-16H2,1H3,(H,30,31)
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n/an/a 500n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM181119
PNG
(US9138393, Cimetidine | US9144538, Cimetidine)
Show SMILES CN\C(NC#N)=N\CCSCc1nc[nH]c1C
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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n/an/a 500n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL




J Med Chem 60: 349-361 (2017)


BindingDB Entry DOI: 10.7270/Q27M0B6T
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156887
PNG
(3-[4-(1-furan-2-ylmethyl-1H-indol-3-yl)piperidin-1...)
Show SMILES OC(=O)c1cccc(CN2CCC(CC2)c2cn(Cc3ccco3)c3ccccc23)c1
Show InChI InChI=1S/C26H26N2O3/c29-26(30)21-6-3-5-19(15-21)16-27-12-10-20(11-13-27)24-18-28(17-22-7-4-14-31-22)25-9-2-1-8-23(24)25/h1-9,14-15,18,20H,10-13,16-17H2,(H,29,30)
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n/an/a 630n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156894
PNG
(4-(2-(4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3ccc(cc3)C(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C26H32N2O4/c1-2-31-17-16-28-19-24(23-5-3-4-6-25(23)28)20-11-13-27(14-12-20)15-18-32-22-9-7-21(8-10-22)26(29)30/h3-10,19-20H,2,11-18H2,1H3,(H,29,30)
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n/an/a 691n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50105102
PNG
(4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazine-1-c...)
Show SMILES CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C31H37F2N3O2/c1-2-38-29-15-5-24(6-16-29)17-18-34-31(37)36-22-20-35(21-23-36)19-3-4-30(25-7-11-27(32)12-8-25)26-9-13-28(33)14-10-26/h5-16,30H,2-4,17-23H2,1H3,(H,34,37)
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n/an/a 757n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156893
PNG
(2-(2-{4-[1-(2-Ethoxy-ethyl)-1H-indol-3-yl]-piperid...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C27H34N2O5/c1-3-33-16-15-29-19-24(22-6-4-5-7-25(22)29)20-10-12-28(13-11-20)14-17-34-26-18-21(32-2)8-9-23(26)27(30)31/h4-9,18-20H,3,10-17H2,1-2H3,(H,30,31)
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n/an/a 779n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156875
PNG
(2-(2-(4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3cccc(F)c3C(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C26H31FN2O4/c1-2-32-16-15-29-18-21(20-6-3-4-8-23(20)29)19-10-12-28(13-11-19)14-17-33-24-9-5-7-22(27)25(24)26(30)31/h3-9,18-19H,2,10-17H2,1H3,(H,30,31)
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n/an/a 850n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50172421
PNG
((E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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n/an/a 860n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against Histamine H2 receptor


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156886
PNG
(2-{2-[4-(6-fluoro-1-furan-2-ylmethyl-1H-indol-3-yl...)
Show SMILES OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccco2)c2cc(F)ccc12
Show InChI InChI=1S/C27H27FN2O4/c28-20-7-8-22-24(18-30(25(22)16-20)17-21-4-3-14-33-21)19-9-11-29(12-10-19)13-15-34-26-6-2-1-5-23(26)27(31)32/h1-8,14,16,18-19H,9-13,15,17H2,(H,31,32)
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n/an/a 870n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156876
PNG
(2-{2-[4-(6-fluoro-1-furan-3-ylmethyl-1H-indol-3-yl...)
Show SMILES OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccoc2)c2cc(F)ccc12
Show InChI InChI=1S/C27H27FN2O4/c28-21-5-6-22-24(17-30(25(22)15-21)16-19-9-13-33-18-19)20-7-10-29(11-8-20)12-14-34-26-4-2-1-3-23(26)27(31)32/h1-6,9,13,15,17-18,20H,7-8,10-12,14,16H2,(H,31,32)
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n/an/a 880n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156890
PNG
(5-acetyl-2-(2-(4-(1-(2-ethoxyethyl)-1H-indol-3-yl)...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3ccc(cc3C(O)=O)C(C)=O)CC2)c2ccccc12
Show InChI InChI=1S/C28H34N2O5/c1-3-34-16-15-30-19-25(23-6-4-5-7-26(23)30)21-10-12-29(13-11-21)14-17-35-27-9-8-22(20(2)31)18-24(27)28(32)33/h4-9,18-19,21H,3,10-17H2,1-2H3,(H,32,33)
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n/an/a 950n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50103595
PNG
(Brumetadina | CHEBI:3699 | CIMETIDINE | Cimetidine...)
Show SMILES CN\C(NC#N)=N/CCSCc1nc[nH]c1C
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]APT from human recombinant histamine H2 receptor expressed in CHO cells


Bioorg Med Chem 24: 1793-810 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JS7
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50330441
PNG
(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]APT from human recombinant histamine H2 receptor


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156861
PNG
(2-(2-(4-(1-((5-chlorothiophen-2-yl)methyl)-6-fluor...)
Show SMILES OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccc(Cl)s2)c2cc(F)ccc12
Show InChI InChI=1S/C27H26ClFN2O3S/c28-26-8-6-20(35-26)16-31-17-23(21-7-5-19(29)15-24(21)31)18-9-11-30(12-10-18)13-14-34-25-4-2-1-3-22(25)27(32)33/h1-8,15,17-18H,9-14,16H2,(H,32,33)
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n/an/a 1.03E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50105109
PNG
(4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazine-1-c...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C30H31F2N3O2/c31-27-11-7-25(8-12-27)29(26-9-13-28(32)14-10-26)2-1-16-34-17-19-35(20-18-34)30(36)37-21-15-23-3-5-24(22-33)6-4-23/h3-14,29H,1-2,15-21H2
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n/an/a 1.03E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156863
PNG
(2-(2-{4-[6-fluoro-1-(2-methoxyethyl)-1H-indol-3-yl...)
Show SMILES COCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C25H29FN2O4/c1-31-14-13-28-17-22(20-7-6-19(26)16-23(20)28)18-8-10-27(11-9-18)12-15-32-24-5-3-2-4-21(24)25(29)30/h2-7,16-18H,8-15H2,1H3,(H,29,30)
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n/an/a 1.19E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50105101
PNG
(4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazine-1-c...)
Show SMILES Fc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C29H31F3N2O2/c30-25-9-3-22(4-10-25)15-21-36-29(35)34-19-17-33(18-20-34)16-1-2-28(23-5-11-26(31)12-6-23)24-7-13-27(32)14-8-24/h3-14,28H,1-2,15-21H2
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n/an/a 1.25E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156884
PNG
(3-[4-(1-thiophen-2-ylmethyl-1H-indol-3-yl)piperidi...)
Show SMILES OC(=O)c1cccc(CN2CCC(CC2)c2cn(Cc3cccs3)c3ccccc23)c1
Show InChI InChI=1S/C26H26N2O2S/c29-26(30)21-6-3-5-19(15-21)16-27-12-10-20(11-13-27)24-18-28(17-22-7-4-14-31-22)25-9-2-1-8-23(24)25/h1-9,14-15,18,20H,10-13,16-17H2,(H,29,30)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50105103
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(CCC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C29H31F3N2O/c30-25-10-3-22(4-11-25)5-16-29(35)34-20-18-33(19-21-34)17-1-2-28(23-6-12-26(31)13-7-23)24-8-14-27(32)15-9-24/h3-4,6-15,28H,1-2,5,16-21H2
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n/an/a 1.34E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156860
PNG
(2-(2-(4-(7-bromo-1-(2-ethoxyethyl)-1H-indol-3-yl)p...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cccc(Br)c12
Show InChI InChI=1S/C26H31BrN2O4/c1-2-32-16-15-29-18-22(20-7-5-8-23(27)25(20)29)19-10-12-28(13-11-19)14-17-33-24-9-4-3-6-21(24)26(30)31/h3-9,18-19H,2,10-17H2,1H3,(H,30,31)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156859
PNG
(2-(2-(4-(5-bromo-1-(2-ethoxyethyl)-1H-indol-3-yl)p...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cc(Br)ccc12
Show InChI InChI=1S/C26H31BrN2O4/c1-2-32-15-14-29-18-23(22-17-20(27)7-8-24(22)29)19-9-11-28(12-10-19)13-16-33-25-6-4-3-5-21(25)26(30)31/h3-8,17-19H,2,9-16H2,1H3,(H,30,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156877
PNG
(5-[4-(6-fluoro-1-furan-3-ylmethyl-1H-indol-3-yl)pi...)
Show SMILES COc1ccc(CN2CCC(CC2)c2cn(Cc3ccoc3)c3cc(F)ccc23)cc1C(O)=O
Show InChI InChI=1S/C27H27FN2O4/c1-33-26-5-2-18(12-23(26)27(31)32)14-29-9-6-20(7-10-29)24-16-30(15-19-8-11-34-17-19)25-13-21(28)3-4-22(24)25/h2-5,8,11-13,16-17,20H,6-7,9-10,14-15H2,1H3,(H,31,32)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156871
PNG
(3-{4-[1-(2-Ethoxy-ethyl)-1H-indol-3-yl]-piperidin-...)
Show SMILES CCOCCn1cc(C2CCN(Cc3cccc(c3)C(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C25H30N2O3/c1-2-30-15-14-27-18-23(22-8-3-4-9-24(22)27)20-10-12-26(13-11-20)17-19-6-5-7-21(16-19)25(28)29/h3-9,16,18,20H,2,10-15,17H2,1H3,(H,28,29)
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n/an/a 1.77E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156882
PNG
(2-(2-(4-(1-((5-chlorothiophen-2-yl)methyl)-1H-indo...)
Show SMILES OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccc(Cl)s2)c2ccccc12
Show InChI InChI=1S/C27H27ClN2O3S/c28-26-10-9-20(34-26)17-30-18-23(21-5-1-3-7-24(21)30)19-11-13-29(14-12-19)15-16-33-25-8-4-2-6-22(25)27(31)32/h1-10,18-19H,11-17H2,(H,31,32)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156891
PNG
(2-(3-((4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidi...)
Show SMILES CCOCCn1cc(C2CCN(Cc3cccc(OCC(O)=O)c3)CC2)c2ccccc12
Show InChI InChI=1S/C26H32N2O4/c1-2-31-15-14-28-18-24(23-8-3-4-9-25(23)28)21-10-12-27(13-11-21)17-20-6-5-7-22(16-20)32-19-26(29)30/h3-9,16,18,21H,2,10-15,17,19H2,1H3,(H,29,30)
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n/an/a 1.92E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50105107
PNG
(1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2
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n/an/a 1.98E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156881
PNG
(2-(2-((4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidi...)
Show SMILES CCOCCn1cc(C2CCN(Cc3ccccc3OCC(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C26H32N2O4/c1-2-31-16-15-28-18-23(22-8-4-5-9-24(22)28)20-11-13-27(14-12-20)17-21-7-3-6-10-25(21)32-19-26(29)30/h3-10,18,20H,2,11-17,19H2,1H3,(H,29,30)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156864
PNG
(2-(2-(4-(1-(2-(1,4-dioxan-2-yl)ethyl)-1H-indol-3-y...)
Show SMILES OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(CCC2COCCO2)c2ccccc12
Show InChI InChI=1S/C28H34N2O5/c31-28(32)24-6-2-4-8-27(24)35-16-15-29-12-9-21(10-13-29)25-19-30(26-7-3-1-5-23(25)26)14-11-22-20-33-17-18-34-22/h1-8,19,21-22H,9-18,20H2,(H,31,32)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156879
PNG
(2-{2-[4-(1-butyl-6-fluoro-1H-indol-3-yl)piperidin-...)
Show SMILES CCCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C26H31FN2O3/c1-2-3-12-29-18-23(21-9-8-20(27)17-24(21)29)19-10-13-28(14-11-19)15-16-32-25-7-5-4-6-22(25)26(30)31/h4-9,17-19H,2-3,10-16H2,1H3,(H,30,31)
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n/an/a 2.15E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156852
PNG
(2-(2-(4-(1-(2-(pyridin-2-yl)ethyl)-1H-indol-3-yl)p...)
Show SMILES OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(CCc2ccccn2)c2ccccc12
Show InChI InChI=1S/C29H31N3O3/c33-29(34)25-9-2-4-11-28(25)35-20-19-31-16-12-22(13-17-31)26-21-32(27-10-3-1-8-24(26)27)18-14-23-7-5-6-15-30-23/h1-11,15,21-22H,12-14,16-20H2,(H,33,34)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156895
PNG
(2-(2-(4-(1-(2-ethoxyethyl)-6-(trifluoromethyl)-1H-...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C27H31F3N2O4/c1-2-35-15-14-32-18-23(21-8-7-20(17-24(21)32)27(28,29)30)19-9-11-31(12-10-19)13-16-36-25-6-4-3-5-22(25)26(33)34/h3-8,17-19H,2,9-16H2,1H3,(H,33,34)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156866
PNG
(5-[4-(6-fluoro-1-thiophen-2-ylmethyl-1H-indol-3-yl...)
Show SMILES COc1ccc(CN2CCC(CC2)c2cn(Cc3cccs3)c3cc(F)ccc23)cc1C(O)=O
Show InChI InChI=1S/C27H27FN2O3S/c1-33-26-7-4-18(13-23(26)27(31)32)15-29-10-8-19(9-11-29)24-17-30(16-21-3-2-12-34-21)25-14-20(28)5-6-22(24)25/h2-7,12-14,17,19H,8-11,15-16H2,1H3,(H,31,32)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156854
PNG
(2-((4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin-1...)
Show SMILES CCOCCn1cc(C2CCN(Cc3ccccc3C(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C25H30N2O3/c1-2-30-16-15-27-18-23(22-9-5-6-10-24(22)27)19-11-13-26(14-12-19)17-20-7-3-4-8-21(20)25(28)29/h3-10,18-19H,2,11-17H2,1H3,(H,28,29)
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n/an/a 3.05E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156874
PNG
(5-{4-[1-(5-chlorothiophen-2-ylmethyl)-6-fluoro-1H-...)
Show SMILES COc1ccc(CN2CCC(CC2)c2cn(Cc3ccc(Cl)s3)c3cc(F)ccc23)cc1C(O)=O
Show InChI InChI=1S/C27H26ClFN2O3S/c1-34-25-6-2-17(12-22(25)27(32)33)14-30-10-8-18(9-11-30)23-16-31(15-20-4-7-26(28)35-20)24-13-19(29)3-5-21(23)24/h2-7,12-13,16,18H,8-11,14-15H2,1H3,(H,32,33)
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n/an/a 3.06E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156888
PNG
(2-(2-(4-(1-(2-ethoxyethyl)-7-methyl-1H-indol-3-yl)...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cccc(C)c12
Show InChI InChI=1S/C27H34N2O4/c1-3-32-17-16-29-19-24(22-9-6-7-20(2)26(22)29)21-11-13-28(14-12-21)15-18-33-25-10-5-4-8-23(25)27(30)31/h4-10,19,21H,3,11-18H2,1-2H3,(H,30,31)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156872
PNG
(2-methoxy-5-[4-(1-thiophen-2-ylmethyl-1H-indol-3-y...)
Show SMILES COc1ccc(CN2CCC(CC2)c2cn(Cc3cccs3)c3ccccc23)cc1C(O)=O
Show InChI InChI=1S/C27H28N2O3S/c1-32-26-9-8-19(15-23(26)27(30)31)16-28-12-10-20(11-13-28)24-18-29(17-21-5-4-14-33-21)25-7-3-2-6-22(24)25/h2-9,14-15,18,20H,10-13,16-17H2,1H3,(H,30,31)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156867
PNG
(2-(2-{4-[1-(2-Ethoxy-ethyl)-1H-indol-3-yl]-piperid...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C26H32N2O4/c1-2-31-17-16-28-19-23(21-7-3-5-9-24(21)28)20-11-13-27(14-12-20)15-18-32-25-10-6-4-8-22(25)26(29)30/h3-10,19-20H,2,11-18H2,1H3,(H,29,30)
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n/an/a 3.27E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156858
PNG
(3-{4-[6-fluoro-1-(2-methoxyethyl)-1H-indol-3-yl]pi...)
Show SMILES COCCn1cc(C2CCN(Cc3cccc(c3)C(O)=O)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C24H27FN2O3/c1-30-12-11-27-16-22(21-6-5-20(25)14-23(21)27)18-7-9-26(10-8-18)15-17-3-2-4-19(13-17)24(28)29/h2-6,13-14,16,18H,7-12,15H2,1H3,(H,28,29)
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n/an/a 3.85E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156851
PNG
(2-(4-((4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidi...)
Show SMILES CCOCCn1cc(C2CCN(Cc3ccc(OCC(O)=O)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C26H32N2O4/c1-2-31-16-15-28-18-24(23-5-3-4-6-25(23)28)21-11-13-27(14-12-21)17-20-7-9-22(10-8-20)32-19-26(29)30/h3-10,18,21H,2,11-17,19H2,1H3,(H,29,30)
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n/an/a 3.98E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
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