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Compile Data Set for Download or QSAR

Found 136 hits of ic50 data for polymerid = 2298,2980,49000664   
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


(Cavia porcellus (domestic guinea pig))
BDBM50213876
PNG
(CHEMBL50524)
Show SMILES Nc1c(NC\C=C/COc2csc(CN3CCCCC3)c2)c(=O)c1=O
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n/an/a 0.160n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50213878
PNG
(CHEMBL301294)
Show SMILES CN(C)Cc1cc(OC\C=C/CN=c2c(O)c(O)c2=N)cs1
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n/an/a 0.220n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50213879
PNG
(CHEMBL298354)
Show SMILES O=c1c(NCCC#N)c(NC\C=C/COc2csc(CN3CCCCC3)c2)c1=O
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n/an/a 0.310n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50213959
PNG
(CHEMBL50294)
Show SMILES CN(C)CC\N=c1/c(O)c(O)c1=NC\C=C/COc1csc(CN2CCCCC2)c1
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n/an/a 0.350n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50213877
PNG
(CHEMBL50523)
Show SMILES FCCNc1c(NC\C=C/COc2csc(CN3CCCCC3)c2)c(=O)c1=O
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n/an/a 0.430n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50213880
PNG
(CHEMBL50503)
Show SMILES COCC\N=c1/c(O)c(O)c1=NC\C=C/COc1csc(CN2CCCCC2)c1
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n/an/a 0.480n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50213960
PNG
(CHEMBL49928)
Show SMILES C=CCNc1c(NC\C=C/COc2csc(CN3CCCCC3)c2)c(=O)c1=O
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n/an/a 0.510n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50213875
PNG
(CHEMBL52637)
Show SMILES C\N=c1/c(O)c(O)c1=NC\C=C/COc1csc(CN2CCCCC2)c1
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n/an/a 0.690n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50213958
PNG
(CHEMBL298928)
Show SMILES CC(C)\N=c1/c(O)c(O)c1=NC\C=C/COc1csc(CN2CCCCC2)c1
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n/an/a 0.780n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
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)

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)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50103506
PNG
(RANITIDINE | Ranitidine | Tritec | Zantac)
Show SMILES CNC(NCCSCc1ccc(CN(C)C)o1)=C[N+]([O-])=O
Show InChI InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
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n/an/a 1.10n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404032
PNG
(ROXATIDINE ACETATE)
Show SMILES CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)
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n/an/a 1.40n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
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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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 CNC(NC#N)=NCCSCc1csc(N=C(N)N)n1
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)

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)

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
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)

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)

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)

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
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)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50036754
PNG
((1Z)-N'-(aminosulfonyl)-3-[({2-[(diaminomethylene)...)
Show SMILES NC(N)=Nc1nc(CSCCC(=N)NS(N)(=O)=O)cs1
Show InChI InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
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n/an/a 300n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company

Curated by ChEMBL


Assay Description
Compound was tested for H2 receptor antagonistic activity against histamine stimulated chronotropic response in isolated guinea pig right atrium


Citation and Details
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


Citation and Details
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)

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




Citation and Details
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)

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)

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)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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n/an/a 660n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory activity against brain adenylate cyclase Histamine H2 receptor


J Med Chem 42: 3154-62 (1999)

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)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM77970
PNG
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
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n/an/a 720n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory activity against brain adenylate cyclase Histamine H2 receptor


J Med Chem 42: 3154-62 (1999)

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


Citation and Details
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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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n/an/a 880n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Inhibitory activity against brain adenylate cyclase Histamine H2 receptor


J Med Chem 42: 3154-62 (1999)

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)

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)

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


Citation and Details
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22889
PNG
((Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidaz...)
Show SMILES CNC(NC#N)=NCCSCc1[nH]cnc1C
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 1.02E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of guinea pig histamine H2 receptor


Bioorg Med Chem 18: 7675-99 (2010)

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)

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


Citation and Details
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)

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


Citation and Details
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50036755
PNG
(CHEMBL556048 | N-[6-(2-Guanidino-thiazol-4-yl)-pyr...)
Show SMILES CC(=O)NCc1cccc(n1)-c1csc(N=C(N)N)n1
Show InChI InChI=1S/C12H14N6OS/c1-7(19)15-5-8-3-2-4-9(16-8)10-6-20-12(17-10)18-11(13)14/h2-4,6H,5H2,1H3,(H,15,19)(H4,13,14,17,18)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company

Curated by ChEMBL


Assay Description
Compound was tested for H2 receptor antagonistic activity against histamine stimulated chronotropic response in isolated guinea pig right atrium


Citation and Details
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)

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


Citation and Details
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)

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)

More data for this
Ligand-Target Pair
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