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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM22879'   
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 H1 receptor


(Homo sapiens (Human))
BDBM22879
PNG
((1R)-1-(4-tert-butylphenyl)-4-[4-(hydroxydiphenylm...)
Show SMILES CC(C)(C)c1ccc(cc1)[C@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3/t30-/m1/s1
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PubMed
2n/an/an/an/an/an/an/an/a



UCB S.A.

Curated by PDSP Ki Database




Mol Pharmacol 61: 391-9 (2002)


Article DOI: 10.1124/mol.61.2.391
BindingDB Entry DOI: 10.7270/Q2D50KJ8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM22879
PNG
((1R)-1-(4-tert-butylphenyl)-4-[4-(hydroxydiphenylm...)
Show SMILES CC(C)(C)c1ccc(cc1)[C@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3/t30-/m1/s1
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PubMed
3.16n/an/an/an/an/an/an/an/a



Universite Libre de Bruxelles

Curated by PDSP Ki Database




J Recept Signal Transduct Res 15: 91-102 (1995)


Article DOI: 10.3109/10799899509045210
BindingDB Entry DOI: 10.7270/Q2PZ57BR
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22879
PNG
((1R)-1-(4-tert-butylphenyl)-4-[4-(hydroxydiphenylm...)
Show SMILES CC(C)(C)c1ccc(cc1)[C@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3/t30-/m1/s1
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n/an/an/a 380n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]mepyramine to Histamine 1 receptors in guinea-pig


Bioorg Med Chem Lett 1: 387-390 (1991)


Article DOI: 10.1016/S0960-894X(00)80261-9
BindingDB Entry DOI: 10.7270/Q26T0NXQ
More data for this
Ligand-Target Pair