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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50041192   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406527
PNG
(CHEMBL423660)
Show SMILES CCC(CC)NC=Nc1ccc(cc1)-c1c[nH]cn1
Show InChI InChI=1S/C15H20N4/c1-3-13(4-2)17-11-18-14-7-5-12(6-8-14)15-9-16-10-19-15/h5-11,13H,3-4H2,1-2H3,(H,16,19)(H,17,18)
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Article
PubMed
n/an/an/a 31.6n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)


Article DOI: 10.1021/jm00110a004
BindingDB Entry DOI: 10.7270/Q2W95BCR
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406528
PNG
(CHEMBL362059)
Show SMILES CCCCNC=Nc1ccc(cc1)-c1c[nH]cn1
Show InChI InChI=1S/C14H18N4/c1-2-3-8-15-10-17-13-6-4-12(5-7-13)14-9-16-11-18-14/h4-7,9-11H,2-3,8H2,1H3,(H,15,17)(H,16,18)
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Article
PubMed
n/an/an/a 11.2n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)


Article DOI: 10.1021/jm00110a004
BindingDB Entry DOI: 10.7270/Q2W95BCR
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406529
PNG
(CHEMBL51540)
Show SMILES CCC(C)NC=Nc1ccc(cc1)-c1c[nH]cn1
Show InChI InChI=1S/C14H18N4/c1-3-11(2)16-10-17-13-6-4-12(5-7-13)14-8-15-9-18-14/h4-11H,3H2,1-2H3,(H,15,18)(H,16,17)
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Article
PubMed
n/an/an/a 14.1n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)


Article DOI: 10.1021/jm00110a004
BindingDB Entry DOI: 10.7270/Q2W95BCR
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406530
PNG
(CHEMBL51541)
Show SMILES CC(C)(C)NC=Nc1ccc(cc1)-c1c[nH]cn1
Show InChI InChI=1S/C14H18N4/c1-14(2,3)18-10-16-12-6-4-11(5-7-12)13-8-15-9-17-13/h4-10H,1-3H3,(H,15,17)(H,16,18)
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PC sid
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Article
PubMed
n/an/an/a 11.2n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)


Article DOI: 10.1021/jm00110a004
BindingDB Entry DOI: 10.7270/Q2W95BCR
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406535
PNG
(CHEMBL50020)
Show SMILES CC(C)NC=Nc1ccc(cc1)-c1c[nH]cn1
Show InChI InChI=1S/C13H16N4/c1-10(2)15-9-16-12-5-3-11(4-6-12)13-7-14-8-17-13/h3-10H,1-2H3,(H,14,17)(H,15,16)
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Article
PubMed
n/an/an/a 28.2n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)


Article DOI: 10.1021/jm00110a004
BindingDB Entry DOI: 10.7270/Q2W95BCR
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406532
PNG
(CHEMBL298859)
Show SMILES CC(C)CNC=Nc1ccc(cc1)-c1c[nH]cn1
Show InChI InChI=1S/C14H18N4/c1-11(2)7-15-9-17-13-5-3-12(4-6-13)14-8-16-10-18-14/h3-6,8-11H,7H2,1-2H3,(H,15,17)(H,16,18)
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PC sid
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Article
PubMed
n/an/an/a 5.25n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)


Article DOI: 10.1021/jm00110a004
BindingDB Entry DOI: 10.7270/Q2W95BCR
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406533
PNG
(CHEMBL299537)
Show SMILES CCC(C)(C)NC=Nc1ccc(cc1)-c1c[nH]cn1
Show InChI InChI=1S/C15H20N4/c1-4-15(2,3)19-11-17-13-7-5-12(6-8-13)14-9-16-10-18-14/h5-11H,4H2,1-3H3,(H,16,18)(H,17,19)
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PC sid
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Article
PubMed
n/an/an/a 7.59n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)


Article DOI: 10.1021/jm00110a004
BindingDB Entry DOI: 10.7270/Q2W95BCR
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406534
PNG
(CHEMBL50960)
Show SMILES CNC=Nc1ccc(cc1)-c1c[nH]cn1
Show InChI InChI=1S/C11H12N4/c1-12-7-14-10-4-2-9(3-5-10)11-6-13-8-15-11/h2-8H,1H3,(H,12,14)(H,13,15)
UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/an/a 1.20E+3n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)


Article DOI: 10.1021/jm00110a004
BindingDB Entry DOI: 10.7270/Q2W95BCR
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406531
PNG
(CHEMBL296826)
Show SMILES CCNC=Nc1ccc(cc1)-c1c[nH]cn1
Show InChI InChI=1S/C12H14N4/c1-2-13-8-15-11-5-3-10(4-6-11)12-7-14-9-16-12/h3-9H,2H2,1H3,(H,13,15)(H,14,16)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 42.7n/an/an/an/an/a



Research Laboratories of Istituto De Angeli

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig


J Med Chem 34: 1772-6 (1991)


Article DOI: 10.1021/jm00110a004
BindingDB Entry DOI: 10.7270/Q2W95BCR
More data for this
Ligand-Target Pair