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Compile Data Set for Download or QSAR

Found 26 hits of ic50 for UniProtKB: P47747   
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
Show InChI InChI=1S/C18H23N3O3S/c19-15-16(18(23)17(15)22)20-6-2-5-9-24-13-10-14(25-12-13)11-21-7-3-1-4-8-21/h2,5,10,12,20H,1,3-4,6-9,11,19H2/b5-2-
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n/an/a 0.160n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonistic activity


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
Show InChI InChI=1S/C15H19N3O3S/c1-18(2)8-11-7-10(9-22-11)21-6-4-3-5-17-13-12(16)14(19)15(13)20/h3-4,7,9,16,19-20H,5-6,8H2,1-2H3/b4-3-,16-12?,17-13-
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n/an/a 0.220n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonistic activity


Citation and Details
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
Show InChI InChI=1S/C21H26N4O3S/c22-7-6-9-24-19-18(20(26)21(19)27)23-8-2-5-12-28-16-13-17(29-15-16)14-25-10-3-1-4-11-25/h2,5,13,15,23-24H,1,3-4,6,8-12,14H2/b5-2-
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n/an/a 0.310n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonistic activity


Citation and Details
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
Show InChI InChI=1S/C22H32N4O3S/c1-25(2)12-9-24-20-19(21(27)22(20)28)23-8-4-7-13-29-17-14-18(30-16-17)15-26-10-5-3-6-11-26/h4,7,14,16,27-28H,3,5-6,8-13,15H2,1-2H3/b7-4-,23-19-,24-20-
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n/an/a 0.350n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonistic activity


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
Show InChI InChI=1S/C20H26FN3O3S/c21-6-8-23-18-17(19(25)20(18)26)22-7-2-5-11-27-15-12-16(28-14-15)13-24-9-3-1-4-10-24/h2,5,12,14,22-23H,1,3-4,6-11,13H2/b5-2-
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n/an/a 0.430n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonistic activity


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
Show InChI InChI=1S/C21H29N3O4S/c1-27-12-8-23-19-18(20(25)21(19)26)22-7-3-6-11-28-16-13-17(29-15-16)14-24-9-4-2-5-10-24/h3,6,13,15,25-26H,2,4-5,7-12,14H2,1H3/b6-3-,22-18-,23-19-
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n/an/a 0.480n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonistic activity


Citation and Details
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
Show InChI InChI=1S/C21H27N3O3S/c1-2-8-22-18-19(21(26)20(18)25)23-9-4-7-12-27-16-13-17(28-15-16)14-24-10-5-3-6-11-24/h2,4,7,13,15,22-23H,1,3,5-6,8-12,14H2/b7-4-
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n/an/a 0.510n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonistic activity


Citation and Details
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
Show InChI InChI=1S/C19H25N3O3S/c1-20-16-17(19(24)18(16)23)21-7-3-6-10-25-14-11-15(26-13-14)12-22-8-4-2-5-9-22/h3,6,11,13,23-24H,2,4-5,7-10,12H2,1H3/b6-3-,20-16-,21-17-
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n/an/a 0.690n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonistic activity


Citation and Details
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
Show InChI InChI=1S/C21H29N3O3S/c1-15(2)23-19-18(20(25)21(19)26)22-8-4-7-11-27-16-12-17(28-14-16)13-24-9-5-3-6-10-24/h4,7,12,14-15,25-26H,3,5-6,8-11,13H2,1-2H3/b7-4-,22-18-,23-19-
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n/an/a 0.780n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonistic activity


Citation and Details
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


TBA

Assay Description
Histamine H2 receptor antagonistic activity


Citation and Details
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


TBA

Assay Description
Histamine H2 receptor antagonistic activity


Citation and Details
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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n/an/a 3.70n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonistic activity


Citation and Details
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


J Med Chem 37: 57-66 (1994)


Article DOI: 10.1021/jm00027a007
BindingDB Entry DOI: 10.7270/Q2FN16TT
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)


Article DOI: 10.1021/jm9910369
BindingDB Entry DOI: 10.7270/Q2N0176G
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)


Article DOI: 10.1021/jm9910369
BindingDB Entry DOI: 10.7270/Q2N0176G
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)


Article DOI: 10.1021/jm9910369
BindingDB Entry DOI: 10.7270/Q2N0176G
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)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
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


J Med Chem 37: 57-66 (1994)


Article DOI: 10.1021/jm00027a007
BindingDB Entry DOI: 10.7270/Q2FN16TT
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50079527
PNG
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12
Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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n/an/a 1.60E+3n/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)


Article DOI: 10.1021/jm9910369
BindingDB Entry DOI: 10.7270/Q2N0176G
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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n/an/a 1.90E+3n/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)


Article DOI: 10.1021/jm9910369
BindingDB Entry DOI: 10.7270/Q2N0176G
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22893
PNG
(CHEMBL512 | Ranitidine | ZANTAC | dimethyl[(5-{[(2...)
Show SMILES CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
Show InChI InChI=1S/C13H21N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9H,6-8,10H2,1-3H3,(H,14,15)/q-1/p+1
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n/an/a 3.40E+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


J Med Chem 37: 57-66 (1994)


Article DOI: 10.1021/jm00027a007
BindingDB Entry DOI: 10.7270/Q2FN16TT
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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n/an/a 3.80E+3n/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)


Article DOI: 10.1021/jm9910369
BindingDB Entry DOI: 10.7270/Q2N0176G
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 3.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antihistamine activity by activation of 4-methylhistamine mediated by Histamine H2 receptor


J Med Chem 26: 1116-22 (1983)


Article DOI: 10.1021/jm00362a006
BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM112777
PNG
(NORTRIPTYLINE | US8629135, SW-02)
Show SMILES CNCCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
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n/an/a 7.00E+3n/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)


Article DOI: 10.1021/jm9910369
BindingDB Entry DOI: 10.7270/Q2N0176G
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027226
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-7-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1ccsc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-16-13(6-9-19-16)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antihistamine activity by activation of 4-methylhistamine mediated by Histamine H2 receptor


J Med Chem 26: 1116-22 (1983)


Article DOI: 10.1021/jm00362a006
BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027227
PNG
(3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...)
Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21
Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antihistamine activity by activation of 4-methylhistamine mediated by Histamine H2 receptor


J Med Chem 26: 1116-22 (1983)


Article DOI: 10.1021/jm00362a006
BindingDB Entry DOI: 10.7270/Q2SN07ZR
More data for this
Ligand-Target Pair