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Compile Data Set for Download or QSAR

Found 4617 hits with Last Name = 'edwards' and Initial = 'h'   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM528106
PNG
(N-{[5-methoxy-2-(1,2,3,4-tetrazol-1-yl)phenyl]meth...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
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0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528123
PNG
(N-{[5-chloro-2-(1,2,3,4-tetrazol-1-yl)phenyl]methy...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(Cl)ccc1-n1cnnn1
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0.160n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455297
PNG
(US10730874, Compound TABLE II.2 | US11180484, Exam...)
Show SMILES COCc1nn(Cc2ccc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
Show InChI InChI=1S/C25H28FN9O3/c1-37-15-20-19(14-34(30-20)13-17-5-8-23(27-11-17)33-9-3-4-10-33)25(36)28-12-18-21(35-16-29-31-32-35)6-7-22(38-2)24(18)26/h5-8,11,14,16H,3-4,9-10,12-13,15H2,1-2H3,(H,28,36)
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0.170n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528127
PNG
(US11180484, Example 79 | US11180484, Reference Exa...)
Show SMILES COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
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0.230n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528105
PNG
(N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
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0.260n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528131
PNG
(1-{[2-(3,3-Difluoropyrrolidin-1-yl)pyrimidin-5-yl]...)
Show SMILES COCc1nn(Cc2cnc(nc2)N2CCC(F)(F)C2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
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0.280n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528119
PNG
(N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...)
Show SMILES COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528127
PNG
(US11180484, Example 79 | US11180484, Reference Exa...)
Show SMILES COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
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0.380n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528074
PNG
(N-{[2-Fluoro-6-(1,2,3,4-tetrazol-1-yl)phenyl]methy...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)cccc1-n1cnnn1
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0.520n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528130
PNG
(N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...)
Show SMILES COc1ccc(c(CNC(=O)c2cn(Cc3ccc(nc3)N3CCCC3)nc2C(F)(F)F)c1F)-n1cnnn1
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0.530n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528094
PNG
(N-[(4-methoxy-3-methylpyridin-2-yl)methyl]-3-(meth...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1C
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1.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528129
PNG
(N-{[5-methoxy-2-(1,2,3,4-tetrazol-1-yl)phenyl]meth...)
Show SMILES COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
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2.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528133
PNG
(1-{[2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]...)
Show SMILES COCc1nn(Cc2cnc(nc2)N2CCC(F)(F)C2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1
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2.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM408717
PNG
( N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(met...)
Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F
Show InChI InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34)
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3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00921
BindingDB Entry DOI: 10.7270/Q2HT2TBQ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM408666
PNG
(3-Amino-1-[4-(2-oxo-2H-pyridin-1-ylmethyl)-benzyl]...)
Show SMILES COc1cccc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N)c1F
Show InChI InChI=1S/C25H24FN5O3/c1-34-21-6-4-5-19(23(21)26)13-28-25(33)20-16-31(29-24(20)27)15-18-10-8-17(9-11-18)14-30-12-3-2-7-22(30)32/h2-12,16H,13-15H2,1H3,(H2,27,29)(H,28,33)
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6.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H4 receptor by functional assay


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357272
PNG
(CHEMBL1916498)
Show SMILES CN1CCN(CC1)c1cc(NCC(C)(C)C)ncn1
Show InChI InChI=1S/C14H25N5/c1-14(2,3)10-15-12-9-13(17-11-16-12)19-7-5-18(4)6-8-19/h9,11H,5-8,10H2,1-4H3,(H,15,16,17)
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23.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357277
PNG
(CHEMBL1916505)
Show SMILES CN(C)CCNc1cc(NCC2CC2)ncn1
Show InChI InChI=1S/C12H21N5/c1-17(2)6-5-13-11-7-12(16-9-15-11)14-8-10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H2,13,14,15,16)
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32.4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356879
PNG
(CHEMBL1915535)
Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1
Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)
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37n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H4 receptor by functional assay


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179335
PNG
((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
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39.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H4 receptor by functional assay


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179335
PNG
((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
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47.7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50357273
PNG
(CHEMBL1916499)
Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(NCC(C)(C)C)ncn1 |r|
Show InChI InChI=1S/C15H27N5/c1-15(2,3)10-16-13-8-14(18-11-17-13)20-7-6-12(9-20)19(4)5/h8,11-12H,6-7,9-10H2,1-5H3,(H,16,17,18)/t12-/m1/s1
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54n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357273
PNG
(CHEMBL1916499)
Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(NCC(C)(C)C)ncn1 |r|
Show InChI InChI=1S/C15H27N5/c1-15(2,3)10-16-13-8-14(18-11-17-13)20-7-6-12(9-20)19(4)5/h8,11-12H,6-7,9-10H2,1-5H3,(H,16,17,18)/t12-/m1/s1
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58.9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356879
PNG
(CHEMBL1915535)
Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1
Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)
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82n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM528077
PNG
(N-i6-chloro-2-fluoro-3-methoxybenzyl)-1 -ii2-methy...)
Show SMILES COc1ccc(Cl)c(CNC(=O)c2cn(Cc3ccc4nc(C)ccc4c3)nn2)c1F
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139n/an/an/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MG7SP5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357274
PNG
(CHEMBL1916500)
Show SMILES CC(C)(C)CCNc1cc(ncn1)N1CCNCC1
Show InChI InChI=1S/C14H25N5/c1-14(2,3)4-5-16-12-10-13(18-11-17-12)19-8-6-15-7-9-19/h10-11,15H,4-9H2,1-3H3,(H,16,17,18)
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201n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50304507
PNG
(CHEMBL596562 | N-Benzyl-6-(4-methylpiperazin-1-yl)...)
Show SMILES CN1CCN(CC1)c1cc(NCc2ccccc2)ncn1
Show InChI InChI=1S/C16H21N5/c1-20-7-9-21(10-8-20)16-11-15(18-13-19-16)17-12-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H,17,18,19)
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207n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356890
PNG
(CHEMBL1915533)
Show SMILES CN1CCN(CC1)c1cc(NC2Cc3ccccc3C2)ncn1
Show InChI InChI=1S/C18H23N5/c1-22-6-8-23(9-7-22)18-12-17(19-13-20-18)21-16-10-14-4-2-3-5-15(14)11-16/h2-5,12-13,16H,6-11H2,1H3,(H,19,20,21)
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212n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357275
PNG
(CHEMBL1916501)
Show SMILES CN1CCCN(CC1)c1cc(NCC(C)(C)C)ncn1
Show InChI InChI=1S/C15H27N5/c1-15(2,3)11-16-13-10-14(18-12-17-13)20-7-5-6-19(4)8-9-20/h10,12H,5-9,11H2,1-4H3,(H,16,17,18)
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235n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356878
PNG
(CHEMBL1915534)
Show SMILES CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r|
Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1
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502n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356878
PNG
(CHEMBL1915534)
Show SMILES CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r|
Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1
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572n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H4 receptor by functional assay


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357271
PNG
(CHEMBL1916497)
Show SMILES CN1CC[C@@H](C1)Nc1cc(NCCC(C)(C)C)ncn1 |r|
Show InChI InChI=1S/C15H27N5/c1-15(2,3)6-7-16-13-9-14(18-11-17-13)19-12-5-8-20(4)10-12/h9,11-12H,5-8,10H2,1-4H3,(H2,16,17,18,19)/t12-/m0/s1
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593n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357276
PNG
(CHEMBL1916502)
Show SMILES CC(C)(C)CCNc1cc(ncn1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C20H35N5/c1-20(2,3)9-10-21-18-15-19(23-16-22-18)25-13-11-24(12-14-25)17-7-5-4-6-8-17/h15-17H,4-14H2,1-3H3,(H,21,22,23)
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601n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50356879
PNG
(CHEMBL1915535)
Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1
Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)
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646n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50357272
PNG
(CHEMBL1916498)
Show SMILES CN1CCN(CC1)c1cc(NCC(C)(C)C)ncn1
Show InChI InChI=1S/C14H25N5/c1-14(2,3)10-15-12-9-13(17-11-16-12)19-7-5-18(4)6-8-19/h9,11H,5-8,10H2,1-4H3,(H,15,16,17)
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825n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357278
PNG
(CHEMBL1916503)
Show SMILES CN1CCN(CC1)c1cc(ncn1)N1[C@H]2C[C@H]1CCC2 |r|
Show InChI InChI=1S/C15H23N5/c1-18-5-7-19(8-6-18)14-10-15(17-11-16-14)20-12-3-2-4-13(20)9-12/h10-13H,2-9H2,1H3/t12-,13-/m1/s1
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860n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357279
PNG
(CHEMBL1916504)
Show SMILES CN1CC2CN(CC2C1)c1nc(C)ccc1C#N
Show InChI InChI=1S/C14H18N4/c1-10-3-4-11(5-15)14(16-10)18-8-12-6-17(2)7-13(12)9-18/h3-4,12-13H,6-9H2,1-2H3
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930n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357268
PNG
(CHEMBL1916494)
Show SMILES CC(C)(C)CCNc1cc(N[C@@H]2CCNC2)ncn1 |r|
Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m1/s1
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939n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50060682
PNG
(2-(4-Methyl-piperazin-1-yl)-quinoxaline | CHEMBL12...)
Show SMILES CN1CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)13-10-14-11-4-2-3-5-12(11)15-13/h2-5,10H,6-9H2,1H3
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1.06E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357267
PNG
(CHEMBL1916493)
Show SMILES COc1ccccc1Cn1ccc(NCCc2cnc[nH]2)nc1=O
Show InChI InChI=1S/C17H19N5O2/c1-24-15-5-3-2-4-13(15)11-22-9-7-16(21-17(22)23)19-8-6-14-10-18-12-20-14/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,18,20)(H,19,21,23)
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1.60E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357267
PNG
(CHEMBL1916493)
Show SMILES COc1ccccc1Cn1ccc(NCCc2cnc[nH]2)nc1=O
Show InChI InChI=1S/C17H19N5O2/c1-24-15-5-3-2-4-13(15)11-22-9-7-16(21-17(22)23)19-8-6-14-10-18-12-20-14/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,18,20)(H,19,21,23)
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>2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H4 receptor by functional assay


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357266
PNG
(CHEMBL1916492)
Show SMILES COc1cccc(c1)C(O)(COc1ccccc1C)CN1CCN(C)CC1
Show InChI InChI=1S/C22H30N2O3/c1-18-7-4-5-10-21(18)27-17-22(25,16-24-13-11-23(2)12-14-24)19-8-6-9-20(15-19)26-3/h4-10,15,25H,11-14,16-17H2,1-3H3
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>2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H4 receptor by functional assay


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356889
PNG
(CHEMBL1915532)
Show SMILES CC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1
Show InChI InChI=1S/C20H31N5O2/c1-20(2,3)7-8-21-18-10-19(23-14-22-18)24-15-6-9-25(11-15)12-16-4-5-17(13-26)27-16/h4-5,10,14-15,26H,6-9,11-13H2,1-3H3,(H2,21,22,23,24)
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2.11E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50357266
PNG
(CHEMBL1916492)
Show SMILES COc1cccc(c1)C(O)(COc1ccccc1C)CN1CCN(C)CC1
Show InChI InChI=1S/C22H30N2O3/c1-18-7-4-5-10-21(18)27-17-22(25,16-24-13-11-23(2)12-14-24)19-8-6-9-20(15-19)26-3/h4-10,15,25H,11-14,16-17H2,1-3H3
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2.50E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357266
PNG
(CHEMBL1916492)
Show SMILES COc1cccc(c1)C(O)(COc1ccccc1C)CN1CCN(C)CC1
Show InChI InChI=1S/C22H30N2O3/c1-18-7-4-5-10-21(18)27-17-22(25,16-24-13-11-23(2)12-14-24)19-8-6-9-20(15-19)26-3/h4-10,15,25H,11-14,16-17H2,1-3H3
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3.24E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50356879
PNG
(CHEMBL1915535)
Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1
Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)
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3.56E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H2 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50356878
PNG
(CHEMBL1915534)
Show SMILES CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r|
Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1
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8.22E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50356878
PNG
(CHEMBL1915534)
Show SMILES CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r|
Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1
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8.82E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H2 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50356879
PNG
(CHEMBL1915535)
Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1
Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
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