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Compile Data Set for Download or QSAR

Found 9142 hits with Last Name = 'ward' and Initial = 'j'   
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))
BDBM50343025
PNG
((R)-4-(3-(methylamino)pyrrolidin-1-yl)-N2-neopenty...)
Show SMILES CN[C@@H]1CCN(C1)c1cc(N)nc(NCC(C)(C)C)c1 |r|
Show InChI InChI=1S/C15H27N5/c1-15(2,3)10-18-14-8-12(7-13(16)19-14)20-6-5-11(9-20)17-4/h7-8,11,17H,5-6,9-10H2,1-4H3,(H3,16,18,19)/t11-/m1/s1
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0.0400n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 3113-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.017
BindingDB Entry DOI: 10.7270/Q24X5845
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374104
PNG
(CHEMBL255962)
Show SMILES CC1CCCN1CCc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12 |w:17.18,28.30,1.0,t:16|
Show InChI InChI=1S/C27H34N2/c1-21-6-5-16-29(21)17-15-22-9-11-24(12-10-22)26-14-13-25-19-28(20-27(25)26)18-23-7-3-2-4-8-23/h2-4,7-12,14,21,25,27H,5-6,13,15-20H2,1H3
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0.0500n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374100
PNG
(CHEMBL270011)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(Cc3ccccc3)C[C@@H]12)N1CCCC1 |t:9|
Show InChI InChI=1S/C26H32N2/c1-2-6-22(7-3-1)18-28-19-24-12-13-25(26(24)20-28)23-10-8-21(9-11-23)14-17-27-15-4-5-16-27/h1-3,6-11,13,24,26H,4-5,12,14-20H2/t24-,26+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50232355
PNG
((3aR,6aR)-2-(cyclopropylmethyl)-6-(4-(2-(pyrrolidi...)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(CC3CC3)C[C@@H]12)N1CCCC1 |r,t:9|
Show InChI InChI=1S/C23H32N2/c1-2-13-24(12-1)14-11-18-5-7-20(8-6-18)22-10-9-21-16-25(17-23(21)22)15-19-3-4-19/h5-8,10,19,21,23H,1-4,9,11-17H2/t21-,23+/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane


Bioorg Med Chem Lett 18: 4133-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.086
BindingDB Entry DOI: 10.7270/Q2C82942
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50232355
PNG
((3aR,6aR)-2-(cyclopropylmethyl)-6-(4-(2-(pyrrolidi...)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(CC3CC3)C[C@@H]12)N1CCCC1 |r,t:9|
Show InChI InChI=1S/C23H32N2/c1-2-13-24(12-1)14-11-18-5-7-20(8-6-18)22-10-9-21-16-25(17-23(21)22)15-19-3-4-19/h5-8,10,19,21,23H,1-4,9,11-17H2/t21-,23+/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374110
PNG
(CHEMBL401954)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(C[C@@H]12)C1CCCC1)N1CCCC1 |t:9|
Show InChI InChI=1S/C24H34N2/c1-2-6-22(5-1)26-17-21-11-12-23(24(21)18-26)20-9-7-19(8-10-20)13-16-25-14-3-4-15-25/h7-10,12,21-22,24H,1-6,11,13-18H2/t21-,24+/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356873
PNG
(CHEMBL1914541)
Show SMILES CN1CCN(CC1)c1nc(N)nc2c3cc(Cl)ccc3oc12
Show InChI InChI=1S/C15H16ClN5O/c1-20-4-6-21(7-5-20)14-13-12(18-15(17)19-14)10-8-9(16)2-3-11(10)22-13/h2-3,8H,4-7H2,1H3,(H2,17,18,19)
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0.100n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 6577-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.014
BindingDB Entry DOI: 10.7270/Q2CN749X
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50232355
PNG
((3aR,6aR)-2-(cyclopropylmethyl)-6-(4-(2-(pyrrolidi...)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(CC3CC3)C[C@@H]12)N1CCCC1 |r,t:9|
Show InChI InChI=1S/C23H32N2/c1-2-13-24(12-1)14-11-18-5-7-20(8-6-18)22-10-9-21-16-25(17-23(21)22)15-19-3-4-19/h5-8,10,19,21,23H,1-4,9,11-17H2/t21-,23+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374102
PNG
(CHEMBL402297)
Show SMILES OC[C@@H]1CCCN1CCc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12 |w:18.19,29.31,t:17|
Show InChI InChI=1S/C27H34N2O/c30-20-25-7-4-15-29(25)16-14-21-8-10-23(11-9-21)26-13-12-24-18-28(19-27(24)26)17-22-5-2-1-3-6-22/h1-3,5-6,8-11,13,24-25,27,30H,4,7,12,14-20H2/t24?,25-,27?/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50361235
PNG
(CHEMBL1934525)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC1CCOCC1 |r|
Show InChI InChI=1S/C25H33NO3S/c1-20-3-2-15-26(20)16-12-21-4-6-23(7-5-21)24-8-10-25(11-9-24)30(27,28)19-22-13-17-29-18-14-22/h4-11,20,22H,2-3,12-19H2,1H3/t20-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes


Bioorg Med Chem Lett 22: 71-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.075
BindingDB Entry DOI: 10.7270/Q27M08C7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352357
PNG
(CHEMBL558655)
Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C25H29N3O2S/c1-20-3-2-17-28(20)18-14-21-4-6-23(7-5-21)24-8-10-25(11-9-24)31(29,30)27-19-22-12-15-26-16-13-22/h4-13,15-16,20,27H,2-3,14,17-19H2,1H3
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0.182n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane


J Med Chem 52: 5603-11 (2009)


Article DOI: 10.1021/jm900857n
BindingDB Entry DOI: 10.7270/Q2KW5G2F
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50343021
PNG
((R)-N2-isobutyl-4-(3-(methylamino)pyrrolidin-1-yl)...)
Show SMILES CN[C@@H]1CCN(C1)c1cc(N)nc(NCC(C)C)c1 |r|
Show InChI InChI=1S/C14H25N5/c1-10(2)8-17-14-7-12(6-13(15)18-14)19-5-4-11(9-19)16-3/h6-7,10-11,16H,4-5,8-9H2,1-3H3,(H3,15,17,18)/t11-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 3113-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.017
BindingDB Entry DOI: 10.7270/Q24X5845
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50361237
PNG
(CHEMBL1934527)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC1CCCCO1 |r|
Show InChI InChI=1S/C25H33NO3S/c1-20-5-4-16-26(20)17-15-21-7-9-22(10-8-21)23-11-13-25(14-12-23)30(27,28)19-24-6-2-3-18-29-24/h7-14,20,24H,2-6,15-19H2,1H3/t20-,24?/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes


Bioorg Med Chem Lett 22: 71-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.075
BindingDB Entry DOI: 10.7270/Q27M08C7
More data for this
Ligand-Target Pair
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


(Rattus norvegicus (rat))
BDBM50374109
PNG
(CHEMBL255840)
Show SMILES CC(C)N1C[C@@H]2CC=C([C@@H]2C1)c1ccc(CCN2CCCC2)cc1 |c:7|
Show InChI InChI=1S/C22H32N2/c1-17(2)24-15-20-9-10-21(22(20)16-24)19-7-5-18(6-8-19)11-14-23-12-3-4-13-23/h5-8,10,17,20,22H,3-4,9,11-16H2,1-2H3/t20-,22+/m0/s1
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0.290n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352358
PNG
(CHEMBL558456)
Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C26H30N2O2S/c1-21-6-5-18-28(21)19-17-22-9-11-24(12-10-22)25-13-15-26(16-14-25)31(29,30)27-20-23-7-3-2-4-8-23/h2-4,7-16,21,27H,5-6,17-20H2,1H3
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0.295n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane


J Med Chem 52: 5603-11 (2009)


Article DOI: 10.1021/jm900857n
BindingDB Entry DOI: 10.7270/Q2KW5G2F
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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0.300 -56.5n/an/a 5.70n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 2486-96 (2007)


Article DOI: 10.1021/jm061329j
BindingDB Entry DOI: 10.7270/Q20R9MNK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374095
PNG
(CHEMBL255752)
Show SMILES C(Cc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12)N1CCCC1 |w:11.12,22.23,t:9|
Show InChI InChI=1S/C26H32N2/c1-2-6-22(7-3-1)18-28-19-24-12-13-25(26(24)20-28)23-10-8-21(9-11-23)14-17-27-15-4-5-16-27/h1-3,6-11,13,24,26H,4-5,12,14-20H2
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0.300n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50243638
PNG
(1-((3aR,6aR)-6-(4-(2-((R)-2-methylpyrrolidin-1-yl)...)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)C1=CC[C@H]2CN(C[C@@H]12)C(=O)Cc1ccccc1 |r,t:16|
Show InChI InChI=1S/C28H34N2O/c1-21-6-5-16-29(21)17-15-22-9-11-24(12-10-22)26-14-13-25-19-30(20-27(25)26)28(31)18-23-7-3-2-4-8-23/h2-4,7-12,14,21,25,27H,5-6,13,15-20H2,1H3/t21-,25+,27-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane


Bioorg Med Chem Lett 18: 4133-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.086
BindingDB Entry DOI: 10.7270/Q2C82942
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356794
PNG
(CHEMBL1914462)
Show SMILES CN1CCN(CC1)c1nc(N)nc2c3cc(Cl)ccc3sc12
Show InChI InChI=1S/C15H16ClN5S/c1-20-4-6-21(7-5-20)14-13-12(18-15(17)19-14)10-8-9(16)2-3-11(10)22-13/h2-3,8H,4-7H2,1H3,(H2,17,18,19)
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0.300n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 6577-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.014
BindingDB Entry DOI: 10.7270/Q2CN749X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50343018
PNG
(4-(4-methylpiperazin-1-yl)-N2-neopentylpyridine-2,...)
Show SMILES CN1CCN(CC1)c1cc(N)nc(NCC(C)(C)C)c1
Show InChI InChI=1S/C15H27N5/c1-15(2,3)11-17-14-10-12(9-13(16)18-14)20-7-5-19(4)6-8-20/h9-10H,5-8,11H2,1-4H3,(H3,16,17,18)
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0.300n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 3113-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.017
BindingDB Entry DOI: 10.7270/Q24X5845
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062432
PNG
(5-(3-Chloro-phenyl)-9-fluoro-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4cccc(Cl)c4)c3c12 |t:1|
Show InChI InChI=1S/C25H21ClFNO/c1-14-13-25(2,3)28-20-9-8-18-19-12-17(27)7-10-21(19)29-24(23(18)22(14)20)15-5-4-6-16(26)11-15/h4-13,24,28H,1-3H3
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0.320n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062443
PNG
(5-(4-Chloro-phenyl)-9-fluoro-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)cc4)c3c12 |t:1|
Show InChI InChI=1S/C25H21ClFNO/c1-14-13-25(2,3)28-20-10-9-18-19-12-17(27)8-11-21(19)29-24(23(18)22(14)20)15-4-6-16(26)7-5-15/h4-13,24,28H,1-3H3
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0.320n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50067678
PNG
((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28|
Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand


J Med Chem 46: 4104-12 (2003)


Article DOI: 10.1021/jm020477g
BindingDB Entry DOI: 10.7270/Q2QZ29C6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062444
PNG
(9-Chloro-5-(3-fluoro-phenyl)-2,2,4-trimethyl-2,5-d...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4cccc(F)c4)c3c12 |t:1|
Show InChI InChI=1S/C25H21ClFNO/c1-14-13-25(2,3)28-20-9-8-18-19-12-16(26)7-10-21(19)29-24(23(18)22(14)20)15-5-4-6-17(27)11-15/h4-13,24,28H,1-3H3
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0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50067678
PNG
((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28|
Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50129152
PNG
((6S,8S,10R,14S,15S)-17-Acetyl-6,10-dimethyl-13-(R)...)
Show SMILES C[C@H]1CC2[C@@H]3CC[C@](CC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |t:28|
Show InChI InChI=1S/C25H36O3/c1-15-12-19-20(23(4)9-6-18(28)13-22(15)23)7-10-24(5)21(19)8-11-25(24,17(3)27)14-16(2)26/h13,15,19-21H,6-12,14H2,1-5H3/t15-,19?,20-,21-,23+,24-,25-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor


Bioorg Med Chem Lett 13: 2071-4 (2003)


BindingDB Entry DOI: 10.7270/Q2SX6DSM
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM145818
PNG
(US8952177, 174 | US9089569, 174 | US9695149, 174)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4F)N4CCC(F)CC4)c3c2)c(F)c1 |r|
Show InChI InChI=1/C33H35F3N4O3/c1-20-14-28(36)30(37-17-20)19-43-24-8-9-29-31(16-24)40(32(38-29)25-4-2-3-5-26(25)33(41)42)18-21-6-7-23(15-27(21)35)39-12-10-22(34)11-13-39/h6-9,14-17,22,25-26H,2-5,10-13,18-19H2,1H3,(H,41,42)/t25-,26+/s2
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0.340n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...


US Patent US9089569 (2015)


BindingDB Entry DOI: 10.7270/Q23X85DB
More data for this
Ligand-Target Pair
5-lipoxygenase-activating protein (FLAP)


(Homo sapiens (Human))
BDBM145818
PNG
(US8952177, 174 | US9089569, 174 | US9695149, 174)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4F)N4CCC(F)CC4)c3c2)c(F)c1 |r|
Show InChI InChI=1/C33H35F3N4O3/c1-20-14-28(36)30(37-17-20)19-43-24-8-9-29-31(16-24)40(32(38-29)25-4-2-3-5-26(25)33(41)42)18-21-6-7-23(15-27(21)35)39-12-10-22(34)11-13-39/h6-9,14-17,22,25-26H,2-5,10-13,18-19H2,1H3,(H,41,42)/t25-,26+/s2
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0.340n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator (3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-in...


US Patent US8952177 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CFW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50067678
PNG
((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28|
Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM145818
PNG
(US8952177, 174 | US9089569, 174 | US9695149, 174)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4F)N4CCC(F)CC4)c3c2)c(F)c1 |r|
Show InChI InChI=1/C33H35F3N4O3/c1-20-14-28(36)30(37-17-20)19-43-24-8-9-29-31(16-24)40(32(38-29)25-4-2-3-5-26(25)33(41)42)18-21-6-7-23(15-27(21)35)39-12-10-22(34)11-13-39/h6-9,14-17,22,25-26H,2-5,10-13,18-19H2,1H3,(H,41,42)/t25-,26+/s2
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0.340n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...


US Patent US9695149 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52MSC
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062427
PNG
(9-Fluoro-2,2,4-trimethyl-5-m-tolyl-2,5-dihydro-1H-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4cccc(C)c4)c3c12 |t:1|
Show InChI InChI=1S/C26H24FNO/c1-15-6-5-7-17(12-15)25-24-19(20-13-18(27)8-11-22(20)29-25)9-10-21-23(24)16(2)14-26(3,4)28-21/h5-14,25,28H,1-4H3
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0.370n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.


J Med Chem 41: 303-10 (1998)


Article DOI: 10.1021/jm9705770
BindingDB Entry DOI: 10.7270/Q2RV0PC8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50006774
PNG
((2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
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0.380n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HTT


J Med Chem 47: 6401-9 (2004)


Article DOI: 10.1021/jm0401311
BindingDB Entry DOI: 10.7270/Q2W37X4B
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)

More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374098
PNG
(CHEMBL256225)
Show SMILES C(Cc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12)N1CCCCC1 |w:11.11,22.23,t:9|
Show InChI InChI=1S/C27H34N2/c1-3-7-23(8-4-1)19-29-20-25-13-14-26(27(25)21-29)24-11-9-22(10-12-24)15-18-28-16-5-2-6-17-28/h1,3-4,7-12,14,25,27H,2,5-6,13,15-21H2
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0.400n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50374101
PNG
(CHEMBL410623)
Show SMILES C(Cc1ccc(cc1)C1=CCC2CN(CC12)C1CCCC1)N1CCCC1 |w:11.12,15.15,t:9|
Show InChI InChI=1S/C24H34N2/c1-2-6-22(5-1)26-17-21-11-12-23(24(21)18-26)20-9-7-19(8-10-20)13-16-25-14-3-4-15-25/h7-10,12,21-22,24H,1-6,11,13-18H2
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0.400n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex


Bioorg Med Chem Lett 18: 1490-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.059
BindingDB Entry DOI: 10.7270/Q2Q81DZS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50243122
PNG
(2-methyl-1-((3aR,6aR)-6-(4-(2-((R)-2-methylpyrroli...)
Show SMILES CC(C)C(=O)N1C[C@@H]2CC=C([C@@H]2C1)c1ccc(CCN2CCC[C@H]2C)cc1 |r,c:9|
Show InChI InChI=1S/C24H34N2O/c1-17(2)24(27)26-15-21-10-11-22(23(21)16-26)20-8-6-19(7-9-20)12-14-25-13-4-5-18(25)3/h6-9,11,17-18,21,23H,4-5,10,12-16H2,1-3H3/t18-,21+,23-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane


Bioorg Med Chem Lett 18: 4133-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.086
BindingDB Entry DOI: 10.7270/Q2C82942
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50315348
PNG
((R)-8-chloro-4-(3-(methylamino)pyrrolidin-1-yl)ben...)
Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)ccc3oc12 |r|
Show InChI InChI=1S/C15H16ClN5O/c1-18-9-4-5-21(7-9)14-13-12(19-15(17)20-14)10-6-8(16)2-3-11(10)22-13/h2-3,6,9,18H,4-5,7H2,1H3,(H2,17,19,20)/t9-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 6577-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.014
BindingDB Entry DOI: 10.7270/Q2CN749X
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50243123
PNG
(CHEMBL488464 | cyclopentyl((3aR,6aR)-6-(4-(2-((R)-...)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)C1=CC[C@H]2CN(C[C@@H]12)C(=O)C1CCCC1 |r,t:16|
Show InChI InChI=1S/C26H36N2O/c1-19-5-4-15-27(19)16-14-20-8-10-21(11-9-20)24-13-12-23-17-28(18-25(23)24)26(29)22-6-2-3-7-22/h8-11,13,19,22-23,25H,2-7,12,14-18H2,1H3/t19-,23+,25-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane


Bioorg Med Chem Lett 18: 4133-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.086
BindingDB Entry DOI: 10.7270/Q2C82942
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50065585
PNG
(5-(4-Chloro-3-methyl-phenyl)-9-fluoro-2,2,4-trimet...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1,(11.28,-6.52,;12.62,-7.29,;13.95,-8.06,;13.95,-9.6,;13.94,-11.14,;15.28,-8.83,;12.61,-10.37,;11.28,-9.6,;9.94,-10.37,;8.61,-9.57,;8.62,-8.05,;7.29,-7.28,;5.96,-8.06,;4.63,-7.29,;3.29,-8.06,;4.63,-5.74,;5.96,-4.97,;7.29,-5.74,;8.62,-4.95,;9.96,-5.74,;11.3,-4.98,;11.3,-3.44,;12.63,-2.67,;13.96,-3.44,;15.31,-2.68,;13.96,-4.99,;15.29,-5.76,;12.63,-5.75,;9.96,-7.29,;11.28,-8.06,)|
Show InChI InChI=1S/C26H23ClFNO/c1-14-11-16(5-8-20(14)27)25-24-18(19-12-17(28)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3
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0.400n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells


J Med Chem 41: 2779-85 (1998)


Article DOI: 10.1021/jm980190c
BindingDB Entry DOI: 10.7270/Q2CV4JFM
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM145820
PNG
(US8952177, 176 | US9089569, 176 | US9695149, 176)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4)N4CCC(F)CC4)c3c2)c(F)c1 |r|
Show InChI InChI=1/C33H36F2N4O3/c1-21-16-28(35)30(36-18-21)20-42-25-10-11-29-31(17-25)39(32(37-29)26-4-2-3-5-27(26)33(40)41)19-22-6-8-24(9-7-22)38-14-12-23(34)13-15-38/h6-11,16-18,23,26-27H,2-5,12-15,19-20H2,1H3,(H,40,41)/t26-,27+/s2
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0.420n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...


US Patent US9695149 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52MSC
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50133141
PNG
(9-Fluoro-2,2,4-trimethyl-5-[1-(3-methyl-pyridin-2-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ncccc4C)c3c12 |t:1|
Show InChI InChI=1S/C26H23FN2O/c1-15-6-5-11-28-21(15)13-23-25-18(19-12-17(27)7-10-22(19)30-23)8-9-20-24(25)16(2)14-26(3,4)29-20/h5-14,29H,1-4H3/b23-13-
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0.420n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand


J Med Chem 46: 4104-12 (2003)


Article DOI: 10.1021/jm020477g
BindingDB Entry DOI: 10.7270/Q2QZ29C6
More data for this
Ligand-Target Pair
5-lipoxygenase-activating protein (FLAP)


(Homo sapiens (Human))
BDBM145820
PNG
(US8952177, 176 | US9089569, 176 | US9695149, 176)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4)N4CCC(F)CC4)c3c2)c(F)c1 |r|
Show InChI InChI=1/C33H36F2N4O3/c1-21-16-28(35)30(36-18-21)20-42-25-10-11-29-31(17-25)39(32(37-29)26-4-2-3-5-27(26)33(40)41)19-22-6-8-24(9-7-22)38-14-12-23(34)13-15-38/h6-11,16-18,23,26-27H,2-5,12-15,19-20H2,1H3,(H,40,41)/t26-,27+/s2
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0.420n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator (3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-in...


US Patent US8952177 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CFW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM145820
PNG
(US8952177, 176 | US9089569, 176 | US9695149, 176)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4)N4CCC(F)CC4)c3c2)c(F)c1 |r|
Show InChI InChI=1/C33H36F2N4O3/c1-21-16-28(35)30(36-18-21)20-42-25-10-11-29-31(17-25)39(32(37-29)26-4-2-3-5-27(26)33(40)41)19-22-6-8-24(9-7-22)38-14-12-23(34)13-15-38/h6-11,16-18,23,26-27H,2-5,12-15,19-20H2,1H3,(H,40,41)/t26-,27+/s2
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0.420n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...


US Patent US9089569 (2015)


BindingDB Entry DOI: 10.7270/Q23X85DB
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072701
PNG
(9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20ClNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
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0.440n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226938
PNG
(CHEMBL38829)
Show SMILES CN1C(Cc2ccccc12)C1=NCCN1 |t:12|
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0.450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM145785
PNG
(US8952177, 139 | US9089569, 139 | US9695149, 139)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4)-c4ccc(cc4)C(F)(F)F)c3c2)c(F)c1 |r|
Show InChI InChI=1/C35H31F4N3O3/c1-21-16-29(36)31(40-18-21)20-45-26-14-15-30-32(17-26)42(33(41-30)27-4-2-3-5-28(27)34(43)44)19-22-6-8-23(9-7-22)24-10-12-25(13-11-24)35(37,38)39/h6-18,27-28H,2-5,19-20H2,1H3,(H,43,44)/t27-,28+/s2
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0.470n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...


US Patent US9695149 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52MSC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226949
PNG
(CHEMBL416072)
Show SMILES C=CCN1C(Cc2ccccc12)C1=NCCN1 |t:14|
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0.470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)

More data for this
Ligand-Target Pair
5-lipoxygenase-activating protein (FLAP)


(Homo sapiens (Human))
BDBM145785
PNG
(US8952177, 139 | US9089569, 139 | US9695149, 139)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4)-c4ccc(cc4)C(F)(F)F)c3c2)c(F)c1 |r|
Show InChI InChI=1/C35H31F4N3O3/c1-21-16-29(36)31(40-18-21)20-45-26-14-15-30-32(17-26)42(33(41-30)27-4-2-3-5-28(27)34(43)44)19-22-6-8-23(9-7-22)24-10-12-25(13-11-24)35(37,38)39/h6-18,27-28H,2-5,19-20H2,1H3,(H,43,44)/t27-,28+/s2
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0.470n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator (3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-in...


US Patent US8952177 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CFW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM145785
PNG
(US8952177, 139 | US9089569, 139 | US9695149, 139)
Show SMILES Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4)-c4ccc(cc4)C(F)(F)F)c3c2)c(F)c1 |r|
Show InChI InChI=1/C35H31F4N3O3/c1-21-16-29(36)31(40-18-21)20-45-26-14-15-30-32(17-26)42(33(41-30)27-4-2-3-5-28(27)34(43)44)19-22-6-8-23(9-7-22)24-10-12-25(13-11-24)35(37,38)39/h6-18,27-28H,2-5,19-20H2,1H3,(H,43,44)/t27-,28+/s2
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0.470n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...


US Patent US9089569 (2015)


BindingDB Entry DOI: 10.7270/Q23X85DB
More data for this
Ligand-Target Pair
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