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Compile Data Set for Download or QSAR

Found 4658 hits with Last Name = 'venable' and Initial = 'jd'   
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 H4 receptor


(Homo sapiens (Human))
BDBM50319300
PNG
(CHEMBL1083162 | N-(2-(1H-imidazol-4-yl)ethyl)-3-(4...)
Show SMILES Cc1cc(OCCCNCCc2cnc[nH]2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Show InChI InChI=1S/C23H26FN5O/c1-15-12-18(30-11-3-9-25-10-8-17-13-26-14-27-17)4-5-19(15)23-28-21-7-6-20(24)16(2)22(21)29-23/h4-7,12-14,25H,3,8-11H2,1-2H3,(H,26,27)(H,28,29)
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0.210n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor


Bioorg Med Chem Lett 20: 3367-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.017
BindingDB Entry DOI: 10.7270/Q23J3D4Z
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to the human histamine H3 receptor


J Med Chem 46: 3957-60 (2003)


Article DOI: 10.1021/jm0341047
BindingDB Entry DOI: 10.7270/Q2QJ7J1C
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356884
PNG
(CHEMBL1915540)
Show SMILES CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(N)n1 |r|
Show InChI InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


J Med Chem 58: 7119-27 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00516
BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Rattus norvegicus (rat))
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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2.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards rat histamine H4 receptor


J Med Chem 46: 3957-60 (2003)


Article DOI: 10.1021/jm0341047
BindingDB Entry DOI: 10.7270/Q2QJ7J1C
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179351
PNG
((2-chloro-3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)(4-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2sc(Cl)c(C)c2[nH]1
Show InChI InChI=1S/C13H16ClN3OS/c1-8-11-10(19-12(8)14)7-9(15-11)13(18)17-5-3-16(2)4-6-17/h7,15H,3-6H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315434
PNG
(US10172856, Example 86)
Show SMILES CC(C)Oc1cc(Br)ccc1N(C(C)C)c1ccnc(N)n1
Show InChI InChI=1S/C16H21BrN4O/c1-10(2)21(15-7-8-19-16(18)20-15)13-6-5-12(17)9-14(13)22-11(3)4/h5-11H,1-4H3,(H2,18,19,20)
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Rattus norvegicus (rat))
BDBM50133004
PNG
((7-Amino-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cccc(N)c2[nH]1
Show InChI InChI=1S/C14H18N4O/c1-17-5-7-18(8-6-17)14(19)12-9-10-3-2-4-11(15)13(10)16-12/h2-4,9,16H,5-8,15H2,1H3
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3.30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards rat histamine H4 receptor


J Med Chem 46: 3957-60 (2003)


Article DOI: 10.1021/jm0341047
BindingDB Entry DOI: 10.7270/Q2QJ7J1C
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50319302
PNG
(5-(3-(4-(5-fluoro-4-methyl-1H-benzo[d]imidazol-2-y...)
Show SMILES Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Show InChI InChI=1S/C24H26FN5O/c1-15-12-17(31-11-3-9-30-10-8-20-22(13-30)27-14-26-20)4-5-18(15)24-28-21-7-6-19(25)16(2)23(21)29-24/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,26,27)(H,28,29)
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3.30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor


Bioorg Med Chem Lett 20: 3367-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.017
BindingDB Entry DOI: 10.7270/Q23J3D4Z
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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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315466
PNG
(US10172856, Example 115)
Show SMILES CCCc1cc(ccc1N(C(C)C)c1ccnc(N)n1)C(F)(F)F
Show InChI InChI=1S/C17H21F3N4/c1-4-5-12-10-13(17(18,19)20)6-7-14(12)24(11(2)3)15-8-9-22-16(21)23-15/h6-11H,4-5H2,1-3H3,(H2,21,22,23)
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4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
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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4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]- histamine from the recombinant human histamine H4 receptor


J Med Chem 46: 3957-60 (2003)


Article DOI: 10.1021/jm0341047
BindingDB Entry DOI: 10.7270/Q2QJ7J1C
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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4.5n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


J Med Chem 58: 7119-27 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00516
BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
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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4.80n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


J Med Chem 58: 7119-27 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00516
BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133018
PNG
((4,5-Dichloro-1H-indol-2-yl)-(4-methyl-piperazin-1...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H15Cl2N3O/c1-18-4-6-19(7-5-18)14(20)12-8-9-11(17-12)3-2-10(15)13(9)16/h2-3,8,17H,4-7H2,1H3
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5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]- histamine from the recombinant human histamine H4 receptor


J Med Chem 46: 3957-60 (2003)


Article DOI: 10.1021/jm0341047
BindingDB Entry DOI: 10.7270/Q2QJ7J1C
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133018
PNG
((4,5-Dichloro-1H-indol-2-yl)-(4-methyl-piperazin-1...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H15Cl2N3O/c1-18-4-6-19(7-5-18)14(20)12-8-9-11(17-12)3-2-10(15)13(9)16/h2-3,8,17H,4-7H2,1H3
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5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Mus musculus (mouse))
BDBM50006789
PNG
(CHEMBL3236549)
Show SMILES CC(C)c1cc(nc(N)n1)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from mouse recombinant histamine H4 receptor


J Med Chem 58: 7119-27 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00516
BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50319295
PNG
(3-(4-(5-fluoro-4-methyl-1H-benzo[d]imidazol-2-yl)-...)
Show SMILES Cc1cc(OCCCNCc2cccnc2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Show InChI InChI=1S/C24H25FN4O/c1-16-13-19(30-12-4-11-27-15-18-5-3-10-26-14-18)6-7-20(16)24-28-22-9-8-21(25)17(2)23(22)29-24/h3,5-10,13-14,27H,4,11-12,15H2,1-2H3,(H,28,29)
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5.30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor


Bioorg Med Chem Lett 20: 3367-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.017
BindingDB Entry DOI: 10.7270/Q23J3D4Z
More data for this
Ligand-Target Pair
Histamine receptor H4


(GUINEA PIG)
BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
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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6n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H4 receptor


J Med Chem 58: 7119-27 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00516
BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315348
PNG
(US10172856, Example 1)
Show SMILES CCOc1cc(F)ccc1N(C(C)C)c1ccnc(N)n1
Show InChI InChI=1S/C15H19FN4O/c1-4-21-13-9-11(16)5-6-12(13)20(10(2)3)14-7-8-18-15(17)19-14/h5-10H,4H2,1-3H3,(H2,17,18,19)
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6n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356884
PNG
(CHEMBL1915540)
Show SMILES CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(N)n1 |r|
Show InChI InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 58: 7119-27 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00516
BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50132999
PNG
((7-Methyl-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cccc(C)c2[nH]1
Show InChI InChI=1S/C15H19N3O/c1-11-4-3-5-12-10-13(16-14(11)12)15(19)18-8-6-17(2)7-9-18/h3-5,10,16H,6-9H2,1-2H3
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7n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179340
PNG
((5-fluoro-4-methyl-1H-benzoimidazol-2-yl)(4-methyl...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(F)c(C)c2[nH]1
Show InChI InChI=1S/C14H17FN4O/c1-9-10(15)3-4-11-12(9)17-13(16-11)14(20)19-7-5-18(2)6-8-19/h3-4H,5-8H2,1-2H3,(H,16,17)
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7n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315377
PNG
(US10172856, Example 30)
Show SMILES CC(C)N(c1ccnc(N)n1)c1ccc(cc1C)S(F)(F)(F)(F)F
Show InChI InChI=1S/C14H17F5N4S/c1-9(2)23(13-6-7-21-14(20)22-13)12-5-4-11(8-10(12)3)24(15,16,17,18)19/h4-9H,1-3H3,(H2,20,21,22)
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7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315465
PNG
(US10172856, Example 114)
Show SMILES C\C=C\c1cc(ccc1N(C(C)C)c1ccnc(N)n1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N4/c1-4-5-12-10-13(17(18,19)20)6-7-14(12)24(11(2)3)15-8-9-22-16(21)23-15/h4-11H,1-3H3,(H2,21,22,23)/b5-4+
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7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50132999
PNG
((7-Methyl-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cccc(C)c2[nH]1
Show InChI InChI=1S/C15H19N3O/c1-11-4-3-5-12-10-13(16-14(11)12)15(19)18-8-6-17(2)7-9-18/h3-5,10,16H,6-9H2,1-2H3
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7n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]- histamine from the recombinant human histamine H4 receptor


J Med Chem 46: 3957-60 (2003)


Article DOI: 10.1021/jm0341047
BindingDB Entry DOI: 10.7270/Q2QJ7J1C
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315471
PNG
(US10172856, Example 119)
Show SMILES CCCc1cc(F)ccc1N(C(C)C)c1ccnc(N)n1
Show InChI InChI=1S/C16H21FN4/c1-4-5-12-10-13(17)6-7-14(12)21(11(2)3)15-8-9-19-16(18)20-15/h6-11H,4-5H2,1-3H3,(H2,18,19,20)
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7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315386
PNG
(US10172856, Example 38)
Show SMILES Cc1cc(ccc1N(Cc1cscn1)c1ccnc(N)n1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C15H14F5N5S2/c1-10-6-12(27(16,17,18,19)20)2-3-13(10)25(7-11-8-26-9-23-11)14-4-5-22-15(21)24-14/h2-6,8-9H,7H2,1H3,(H2,21,22,24)
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7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133005
PNG
((5-Bromo-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Br)ccc2[nH]1
Show InChI InChI=1S/C14H16BrN3O/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



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133004
PNG
((7-Amino-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cccc(N)c2[nH]1
Show InChI InChI=1S/C14H18N4O/c1-17-5-7-18(8-6-17)14(19)12-9-10-3-2-4-11(15)13(10)16-12/h2-4,9,16H,5-8,15H2,1H3
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8n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
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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8n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to histamine H4 receptor (unknown origin)


J Med Chem 58: 7119-27 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00516
BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315433
PNG
(US10172856, Example 85)
Show SMILES CC(C)N(c1ccnc(N)n1)c1ccc(Br)cc1OC(F)(F)F
Show InChI InChI=1S/C14H14BrF3N4O/c1-8(2)22(12-5-6-20-13(19)21-12)10-4-3-9(15)7-11(10)23-14(16,17)18/h3-8H,1-2H3,(H2,19,20,21)
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8n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315391
PNG
(US10172856, Example 43)
Show SMILES CCN(c1ccnc(N)n1)c1ccc(cc1C1CCC1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C17H19F3N4O2S/c1-2-24(15-8-9-22-16(21)23-15)14-7-6-12(27(25,26)17(18,19)20)10-13(14)11-4-3-5-11/h6-11H,2-5H2,1H3,(H2,21,22,23)
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8n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133004
PNG
((7-Amino-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cccc(N)c2[nH]1
Show InChI InChI=1S/C14H18N4O/c1-17-5-7-18(8-6-17)14(19)12-9-10-3-2-4-11(15)13(10)16-12/h2-4,9,16H,5-8,15H2,1H3
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8n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]- histamine from the recombinant human histamine H4 receptor


J Med Chem 46: 3957-60 (2003)


Article DOI: 10.1021/jm0341047
BindingDB Entry DOI: 10.7270/Q2QJ7J1C
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133005
PNG
((5-Bromo-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Br)ccc2[nH]1
Show InChI InChI=1S/C14H16BrN3O/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



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]- histamine from the recombinant human histamine H4 receptor


J Med Chem 46: 3957-60 (2003)


Article DOI: 10.1021/jm0341047
BindingDB Entry DOI: 10.7270/Q2QJ7J1C
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315370
PNG
(US10172856, Example 23)
Show SMILES CCc1cc(ccc1N(Cc1cocn1)c1ccnc(N)n1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C16H16F5N5OS/c1-2-11-7-13(28(17,18,19,20)21)3-4-14(11)26(8-12-9-27-10-24-12)15-5-6-23-16(22)25-15/h3-7,9-10H,2,8H2,1H3,(H2,22,23,25)
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8n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315366
PNG
(US10172856, Example 19)
Show SMILES Cc1cc(ccc1N(Cc1cocn1)c1ccnc(N)n1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C15H14F5N5OS/c1-10-6-12(27(16,17,18,19)20)2-3-13(10)25(7-11-8-26-9-23-11)14-4-5-22-15(21)24-14/h2-6,8-9H,7H2,1H3,(H2,21,22,24)
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9n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315372
PNG
(US10172856, Example 25)
Show SMILES CCc1cc(ccc1N(Cc1ccn[nH]1)c1ccnc(N)n1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C16H17F5N6S/c1-2-11-9-13(28(17,18,19,20)21)3-4-14(11)27(10-12-5-8-24-26-12)15-6-7-23-16(22)25-15/h3-9H,2,10H2,1H3,(H,24,26)(H2,22,23,25)
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9n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315353
PNG
(US10172856, Example 6)
Show SMILES Nc1nccc(n1)N(Cc1cocn1)c1ccc(OC(F)(F)F)cc1C1CCC1
Show InChI InChI=1S/C19H18F3N5O2/c20-19(21,22)29-14-4-5-16(15(8-14)12-2-1-3-12)27(9-13-10-28-11-25-13)17-6-7-24-18(23)26-17/h4-8,10-12H,1-3,9H2,(H2,23,24,26)
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9n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315381
PNG
(US10172856, Example 33)
Show SMILES Cc1ocnc1CN(c1ccnc(N)n1)c1ccc(cc1C)S(F)(F)(F)(F)F
Show InChI InChI=1S/C16H16F5N5OS/c1-10-7-12(28(17,18,19,20)21)3-4-14(10)26(8-13-11(2)27-9-24-13)15-5-6-23-16(22)25-15/h3-7,9H,8H2,1-2H3,(H2,22,23,25)
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9n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315458
PNG
(US10172856, Example 109)
Show SMILES CCc1cc(ccc1N(Cc1cocn1)c1ccnc(N)n1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N5O/c1-2-11-7-12(17(18,19)20)3-4-14(11)25(8-13-9-26-10-23-13)15-5-6-22-16(21)24-15/h3-7,9-10H,2,8H2,1H3,(H2,21,22,24)
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9n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM471715
PNG
((R)-N-(1-Acryloylpiperidin-3-yl)-5-(2-fluoro-4-phe...)
Show SMILES Fc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.78,4.35,;-3.12,3.58,;-4.45,4.35,;-5.78,3.58,;-7.12,4.35,;-8.45,3.58,;-9.78,4.35,;-11.12,3.58,;-11.12,2.04,;-9.78,1.27,;-8.45,2.04,;-5.78,2.04,;-4.45,1.27,;-3.12,2.04,;-1.78,1.27,;-1.78,-.27,;-3.12,-1.04,;-3.12,-2.58,;-1.78,-3.35,;-.45,-2.58,;1.04,-2.98,;1.88,-1.68,;3.42,-1.68,;4.19,-.35,;4.19,-3.02,;5.73,-3.02,;6.5,-4.35,;8.04,-4.35,;8.81,-3.02,;8.04,-1.68,;6.5,-1.68,;8.81,-.35,;8.04,.98,;10.35,-.35,;11.12,-1.68,;.89,-.27,;.89,1.27,;-.45,2.04,;-.45,3.58,;-.45,-1.04,)|
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9.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Covalent inhibition of recombinant human GST-tagged BTK (2 to 659 end residues) expressed in baculovirus expression system assessed as inhibition con...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00044
BindingDB Entry DOI: 10.7270/Q25D8WM5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315399
PNG
(US10172856, Example 51)
Show SMILES CC(C)N(c1ccnc(N)n1)c1ccc(cc1C1CCC1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C18H21F3N4O2S/c1-11(2)25(16-8-9-23-17(22)24-16)15-7-6-13(28(26,27)18(19,20)21)10-14(15)12-4-3-5-12/h6-12H,3-5H2,1-2H3,(H2,22,23,24)
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10n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133011
PNG
((5,7-Dichloro-1H-indol-2-yl)-(4-methyl-piperazin-1...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc(Cl)c2[nH]1
Show InChI InChI=1S/C14H15Cl2N3O/c1-18-2-4-19(5-3-18)14(20)12-7-9-6-10(15)8-11(16)13(9)17-12/h6-8,17H,2-5H2,1H3
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11n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]- histamine from the recombinant human histamine H4 receptor


J Med Chem 46: 3957-60 (2003)


Article DOI: 10.1021/jm0341047
BindingDB Entry DOI: 10.7270/Q2QJ7J1C
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315470
PNG
(US10172856, Example 118)
Show SMILES C\C=C\c1cc(F)ccc1N(C(C)C)c1ccnc(N)n1
Show InChI InChI=1S/C16H19FN4/c1-4-5-12-10-13(17)6-7-14(12)21(11(2)3)15-8-9-19-16(18)20-15/h4-11H,1-3H3,(H2,18,19,20)/b5-4+
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11n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315435
PNG
(US10172856, Example 87)
Show SMILES CC(C)N(c1ccnc(N)n1)c1ccc(Br)cc1OCC(F)(F)F
Show InChI InChI=1S/C15H16BrF3N4O/c1-9(2)23(13-5-6-21-14(20)22-13)11-4-3-10(16)7-12(11)24-8-15(17,18)19/h3-7,9H,8H2,1-2H3,(H2,20,21,22)
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11n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133011
PNG
((5,7-Dichloro-1H-indol-2-yl)-(4-methyl-piperazin-1...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc(Cl)c2[nH]1
Show InChI InChI=1S/C14H15Cl2N3O/c1-18-2-4-19(5-3-18)14(20)12-7-9-6-10(15)8-11(16)13(9)17-12/h6-8,17H,2-5H2,1H3
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11n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Rattus norvegicus (rat))
BDBM50356884
PNG
(CHEMBL1915540)
Show SMILES CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(N)n1 |r|
Show InChI InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1
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12n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from rat histamine H4 receptor expressed in HEK293T cells


J Med Chem 58: 7119-27 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00516
BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006789
PNG
(CHEMBL3236549)
Show SMILES CC(C)c1cc(nc(N)n1)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
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12n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor


J Med Chem 58: 7119-27 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00516
BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315385
PNG
(US10172856, Example 37)
Show SMILES Cc1cc(ccc1N(Cc1ncccc1Cl)c1ccnc(N)n1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C17H15ClF5N5S/c1-11-9-12(29(19,20,21,22)23)4-5-15(11)28(16-6-8-26-17(24)27-16)10-14-13(18)3-2-7-25-14/h2-9H,10H2,1H3,(H2,24,26,27)
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12n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM315355
PNG
(US10172856, Example 8)
Show SMILES CC(C)Cc1cc(OC(F)(F)F)ccc1N(Cc1cocn1)c1ccnc(N)n1
Show InChI InChI=1S/C19H20F3N5O2/c1-12(2)7-13-8-15(29-19(20,21)22)3-4-16(13)27(9-14-10-28-11-25-14)17-5-6-24-18(23)26-17/h3-6,8,10-12H,7,9H2,1-2H3,(H2,23,24,26)
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12n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To...


US Patent US10172856 (2019)


BindingDB Entry DOI: 10.7270/Q2BV7JQ1
More data for this
Ligand-Target Pair
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