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Compile Data Set for Download or QSAR

Found 5 hits of ki for UniProtKB: P25102   
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


(RAT)
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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Article
PubMed
17n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Italia

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)


Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50543288
PNG
(CHEMBL4638742)
Show SMILES CNc1ccccc1C(=O)NCCN\C(NCCCOc1cccc(CN2CCCCC2)c1)=N/C#N
Show InChI InChI=1S/C27H37N7O2/c1-29-25-12-4-3-11-24(25)26(35)30-14-15-32-27(33-21-28)31-13-8-18-36-23-10-7-9-22(19-23)20-34-16-5-2-6-17-34/h3-4,7,9-12,19,29H,2,5-6,8,13-18,20H2,1H3,(H,30,35)(H2,31,32,33)
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>100n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [125I]-aminopotentidine from rat H2R expressed in human COS7 cells incubated for 90 mins gamma counting method


ACS Med Chem Lett 11: 1521-1528 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00033
BindingDB Entry DOI: 10.7270/Q2W380WD
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50404029
PNG
(CHEMBL45728)
Show SMILES [O-][N+](=O)c1ccc(NCCCCCCCC[N-]C(NCCCOc2cccc(CN3CCCCC3)c2)=[NH+]C#N)c2[n-][o+]nc12 |w:36.38|
Show InChI InChI=1S/C31H42N9O4/c32-24-36-31(35-18-11-21-43-26-13-10-12-25(22-26)23-39-19-8-5-9-20-39)34-17-7-4-2-1-3-6-16-33-27-14-15-28(40(41)42)30-29(27)37-44-38-30/h10,12-15,22,33H,1-9,11,16-21,23H2,(H-,34,35,36)/q-1/p+1
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>100n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [125I]-aminopotentidine from rat H2R expressed in human COS7 cells incubated for 90 mins gamma counting method


ACS Med Chem Lett 11: 1521-1528 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00033
BindingDB Entry DOI: 10.7270/Q2W380WD
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50094703
PNG
(5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1156-64 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6PSP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pudue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 377-86 (2003)


Article DOI: 10.1124/jpet.102.045674
BindingDB Entry DOI: 10.7270/Q2TX3CX5
More data for this
Ligand-Target Pair