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Compile Data Set for Download or QSAR

Found 341 hits with Last Name = 'amin' and Initial = 'k'   
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
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24198
PNG
(3-aminopropylphosphinic derivative, (R)-8 | [(2R)-...)
Show SMILES CP(O)(=O)C[C@H](F)CN |r|
Show InChI InChI=1S/C4H11FNO2P/c1-9(7,8)3-4(5)2-6/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
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4.30 -47.3n/an/a 14n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400133
PNG
(CHEMBL2178987)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)NN)ccc12
Show InChI InChI=1S/C13H14N2O4/c1-7-8(2)13(17)19-11-5-9(3-4-10(7)11)18-6-12(16)15-14/h3-5H,6,14H2,1-2H3,(H,15,16)
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5n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24195
PNG
(3-aminopropylphosphinic derivative, (R)-7 | AZD335...)
Show SMILES NC[C@@H](F)CP(O)=O |r|
Show InChI InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1
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5.10 -46.9n/an/a 8.64n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400125
PNG
(CHEMBL2178426)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1
Show InChI InChI=1S/C20H25N3O3S2/c1-5-23(6-2)9-10-27-20-22-21-18(28-20)12-25-15-7-8-16-13(3)14(4)19(24)26-17(16)11-15/h7-8,11H,5-6,9-10,12H2,1-4H3
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5.20n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400107
PNG
(CHEMBL2178981)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)N\N=C\c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C20H17ClN2O4/c1-12-13(2)20(25)27-18-9-16(7-8-17(12)18)26-11-19(24)23-22-10-14-3-5-15(21)6-4-14/h3-10H,11H2,1-2H3,(H,23,24)/b22-10+
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5.5n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400121
PNG
(CHEMBL2178430)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)s3)ccc12
Show InChI InChI=1S/C20H23N3O4S2/c1-13-14(2)19(24)27-17-11-15(3-4-16(13)17)26-12-18-21-22-20(29-18)28-10-7-23-5-8-25-9-6-23/h3-4,11H,5-10,12H2,1-2H3
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5.70n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400103
PNG
(CHEMBL2178985)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)NN3C(SCC3=O)c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C22H19ClN2O5S/c1-12-13(2)22(28)30-18-9-16(7-8-17(12)18)29-10-19(26)24-25-20(27)11-31-21(25)14-3-5-15(23)6-4-14/h3-9,21H,10-11H2,1-2H3,(H,24,26)
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5.90n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400123
PNG
(CHEMBL2178428)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)o3)ccc12
Show InChI InChI=1S/C20H23N3O5S/c1-13-14(2)19(24)27-17-11-15(3-4-16(13)17)26-12-18-21-22-20(28-18)29-10-7-23-5-8-25-9-6-23/h3-4,11H,5-10,12H2,1-2H3
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6.40n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400131
PNG
(CHEMBL2178989)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(S)o3)ccc12
Show InChI InChI=1S/C14H12N2O4S/c1-7-8(2)13(17)19-11-5-9(3-4-10(7)11)18-6-12-15-16-14(21)20-12/h3-5H,6H2,1-2H3,(H,16,21)
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6.40n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400110
PNG
(CHEMBL2178441)
Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)n3-c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C25H25ClN4O4S/c1-17-14-24(31)34-22-15-20(6-7-21(17)22)33-16-23-27-28-25(30(23)19-4-2-18(26)3-5-19)35-13-10-29-8-11-32-12-9-29/h2-7,14-15H,8-13,16H2,1H3
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6.40n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400109
PNG
(CHEMBL2178442)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)n3-c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C26H27ClN4O4S/c1-17-18(2)25(32)35-23-15-21(7-8-22(17)23)34-16-24-28-29-26(31(24)20-5-3-19(27)4-6-20)36-14-11-30-9-12-33-13-10-30/h3-8,15H,9-14,16H2,1-2H3
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6.40n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400118
PNG
(CHEMBL2178433)
Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(Nc4ccc(Cl)cc4)s3)ccc12
Show InChI InChI=1S/C19H14ClN3O3S/c1-11-8-18(24)26-16-9-14(6-7-15(11)16)25-10-17-22-23-19(27-17)21-13-4-2-12(20)3-5-13/h2-9H,10H2,1H3,(H,21,23)
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6.40n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400114
PNG
(CHEMBL2178437)
Show SMILES Cc1cc(=O)oc2cc(OCc3n[nH]c(=S)n3-c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C19H14ClN3O3S/c1-11-8-18(24)26-16-9-14(6-7-15(11)16)25-10-17-21-22-19(27)23(17)13-4-2-12(20)3-5-13/h2-9H,10H2,1H3,(H,22,27)
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6.40n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400129
PNG
(CHEMBL2178991)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(S)s3)ccc12
Show InChI InChI=1S/C14H12N2O3S2/c1-7-8(2)13(17)19-11-5-9(3-4-10(7)11)18-6-12-15-16-14(20)21-12/h3-5H,6H2,1-2H3,(H,16,20)
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6.40n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400115
PNG
(CHEMBL2178436)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)Nn3c(O)csc3=Nc3ccc(Cl)cc3)ccc12 |w:21.22|
Show InChI InChI=1S/C22H18ClN3O5S/c1-12-13(2)21(29)31-18-9-16(7-8-17(12)18)30-10-19(27)25-26-20(28)11-32-22(26)24-15-5-3-14(23)4-6-15/h3-9,11,28H,10H2,1-2H3,(H,25,27)
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6.40n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400112
PNG
(CHEMBL2178439)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN4O3S/c1-4-29(5-2)12-13-34-25-28-27-23(30(25)19-8-6-18(26)7-9-19)16-32-20-10-11-21-17(3)14-24(31)33-22(21)15-20/h6-11,14-15H,4-5,12-13,16H2,1-3H3
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6.5n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400111
PNG
(CHEMBL2178440)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H29ClN4O3S/c1-5-30(6-2)13-14-35-26-29-28-24(31(26)20-9-7-19(27)8-10-20)16-33-21-11-12-22-17(3)18(4)25(32)34-23(22)15-21/h7-12,15H,5-6,13-14,16H2,1-4H3
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6.5n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400119
PNG
(CHEMBL2178432)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)NNC(=S)Nc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C20H18ClN3O4S/c1-11-12(2)19(26)28-17-9-15(7-8-16(11)17)27-10-18(25)23-24-20(29)22-14-5-3-13(21)4-6-14/h3-9H,10H2,1-2H3,(H,23,25)(H2,22,24,29)
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6.5n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400105
PNG
(CHEMBL2178983)
Show SMILES CC(=NNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)c1ccc(Cl)cc1 |w:2.2|
Show InChI InChI=1S/C21H19ClN2O4/c1-12-13(2)21(26)28-19-10-17(8-9-18(12)19)27-11-20(25)24-23-14(3)15-4-6-16(22)7-5-15/h4-10H,11H2,1-3H3,(H,24,25)
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6.5n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400124
PNG
(CHEMBL2178427)
Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)o3)ccc12
Show InChI InChI=1S/C19H21N3O5S/c1-13-10-18(23)26-16-11-14(2-3-15(13)16)25-12-17-20-21-19(27-17)28-9-6-22-4-7-24-8-5-22/h2-3,10-11H,4-9,12H2,1H3
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Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400113
PNG
(CHEMBL2178438)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3n[nH]c(=S)n3-c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C20H16ClN3O3S/c1-11-12(2)19(25)27-17-9-15(7-8-16(11)17)26-10-18-22-23-20(28)24(18)14-5-3-13(21)4-6-14/h3-9H,10H2,1-2H3,(H,23,28)
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6.60n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400128
PNG
(CHEMBL2178992)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)o1
Show InChI InChI=1S/C19H23N3O4S/c1-4-22(5-2)8-9-27-19-21-20-17(26-19)12-24-14-6-7-15-13(3)10-18(23)25-16(15)11-14/h6-7,10-11H,4-5,8-9,12H2,1-3H3
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6.60n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400127
PNG
(CHEMBL2178993)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1
Show InChI InChI=1S/C20H25N3O4S/c1-5-23(6-2)9-10-28-20-22-21-18(27-20)12-25-15-7-8-16-13(3)14(4)19(24)26-17(16)11-15/h7-8,11H,5-6,9-10,12H2,1-4H3
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6.60n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400117
PNG
(CHEMBL2178434)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(Nc4ccc(Cl)cc4)s3)ccc12
Show InChI InChI=1S/C20H16ClN3O3S/c1-11-12(2)19(25)27-17-9-15(7-8-16(11)17)26-10-18-23-24-20(28-18)22-14-5-3-13(21)4-6-14/h3-9H,10H2,1-2H3,(H,22,24)
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6.60n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400116
PNG
(CHEMBL2178435)
Show SMILES Cc1cc(=O)oc2cc(OCC(=O)Nn3c(O)csc3=Nc3ccc(Cl)cc3)ccc12 |w:20.21|
Show InChI InChI=1S/C21H16ClN3O5S/c1-12-8-20(28)30-17-9-15(6-7-16(12)17)29-10-18(26)24-25-19(27)11-31-21(25)23-14-4-2-13(22)3-5-14/h2-9,11,27H,10H2,1H3,(H,24,26)
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6.60n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400120
PNG
(CHEMBL2178431)
Show SMILES Cc1cc(=O)oc2cc(OCC(=O)NNC(=S)Nc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C19H16ClN3O4S/c1-11-8-18(25)27-16-9-14(6-7-15(11)16)26-10-17(24)22-23-19(28)21-13-4-2-12(20)3-5-13/h2-9H,10H2,1H3,(H,22,24)(H2,21,23,28)
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7n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400106
PNG
(CHEMBL2178982)
Show SMILES CC(=NNC(=O)COc1ccc2c(C)cc(=O)oc2c1)c1ccc(Cl)cc1 |w:2.2|
Show InChI InChI=1S/C20H17ClN2O4/c1-12-9-20(25)27-18-10-16(7-8-17(12)18)26-11-19(24)23-22-13(2)14-3-5-15(21)6-4-14/h3-10H,11H2,1-2H3,(H,23,24)
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8n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400108
PNG
(CHEMBL2178980)
Show SMILES Cc1cc(=O)oc2cc(OCC(=O)N\N=C\c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C19H15ClN2O4/c1-12-8-19(24)26-17-9-15(6-7-16(12)17)25-11-18(23)22-21-10-13-2-4-14(20)5-3-13/h2-10H,11H2,1H3,(H,22,23)/b21-10+
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8.90n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400122
PNG
(CHEMBL2178429)
Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)s3)ccc12
Show InChI InChI=1S/C19H21N3O4S2/c1-13-10-18(23)26-16-11-14(2-3-15(13)16)25-12-17-20-21-19(28-17)27-9-6-22-4-7-24-8-5-22/h2-3,10-11H,4-9,12H2,1H3
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9.80n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24193
PNG
((3-amino-2-fluoropropyl)phosphinic acid | 3-aminop...)
Show SMILES NCC(F)CP(O)=O
Show InChI InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)
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10 -45.2n/an/a 15n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50021553
PNG
(CHEMBL3290570)
Show SMILES CN1CCN(CC1)c1ncnc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H16ClN5/c1-19-6-8-20(9-7-19)14-17-10-16-13(18-14)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3
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10n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-histamine from human histamine H4 receptor after 45 mins by scintillation counting analysis


Eur J Med Chem 83: 534-46 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.032
BindingDB Entry DOI: 10.7270/Q2W097HQ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400126
PNG
(CHEMBL2178425)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)s1
Show InChI InChI=1S/C19H23N3O3S2/c1-4-22(5-2)8-9-26-19-21-20-17(27-19)12-24-14-6-7-15-13(3)10-18(23)25-16(15)11-14/h6-7,10-11H,4-5,8-9,12H2,1-3H3
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10n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400134
PNG
(CHEMBL2178986)
Show SMILES Cc1cc(=O)oc2cc(OCC(=O)NN)ccc12
Show InChI InChI=1S/C12H12N2O4/c1-7-4-12(16)18-10-5-8(2-3-9(7)10)17-6-11(15)14-13/h2-5H,6,13H2,1H3,(H,14,15)
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11n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400104
PNG
(CHEMBL2178984)
Show SMILES Cc1cc(=O)oc2cc(OCC(=O)NN3C(SCC3=O)c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C21H17ClN2O5S/c1-12-8-20(27)29-17-9-15(6-7-16(12)17)28-10-18(25)23-24-19(26)11-30-21(24)13-2-4-14(22)5-3-13/h2-9,21H,10-11H2,1H3,(H,23,25)
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11n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400130
PNG
(CHEMBL2178990)
Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(S)s3)ccc12
Show InChI InChI=1S/C13H10N2O3S2/c1-7-4-12(16)18-10-5-8(2-3-9(7)10)17-6-11-14-15-13(19)20-11/h2-5H,6H2,1H3,(H,15,19)
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11n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400132
PNG
(CHEMBL2178988)
Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(S)o3)ccc12
Show InChI InChI=1S/C13H10N2O4S/c1-7-4-12(16)18-10-5-8(2-3-9(7)10)17-6-11-14-15-13(20)19-11/h2-5H,6H2,1H3,(H,15,20)
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12n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24196
PNG
((3-amino-2-fluoropropyl)(methyl)phosphinic acid | ...)
Show SMILES CP(O)(=O)CC(F)CN
Show InChI InChI=1S/C4H11FNO2P/c1-9(7,8)3-4(5)2-6/h4H,2-3,6H2,1H3,(H,7,8)
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14 -44.4n/an/a 23n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24184
PNG
((3-aminopropyl)phosphinic acid | 3-aminopropylphos...)
Show SMILES NCCCP(O)=O
Show InChI InChI=1S/C3H10NO2P/c4-2-1-3-7(5)6/h7H,1-4H2,(H,5,6)
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15 -44.2n/an/a 19n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24185
PNG
((3-aminopropyl)(methyl)phosphinic acid | 3-Apmpa |...)
Show SMILES CP(O)(=O)CCCN
Show InChI InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
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33 -42.3n/an/a 41n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24191
PNG
((3-amino-2-oxopropyl)phosphinic acid | (3-amino-2-...)
Show SMILES NCC(=O)CP(O)=O
Show InChI InChI=1S/C3H8NO3P/c4-1-3(5)2-8(6)7/h8H,1-2,4H2,(H,6,7)
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48 -41.4n/an/a 81n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24186
PNG
((3-amino-2-hydroxypropyl)phosphinic acid | 3-amino...)
Show SMILES NCC(=O)CP(O)O
Show InChI InChI=1S/C3H8NO3P/c4-1-3(5)2-8(6)7/h6-7H,1-2,4H2
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50 -41.3n/an/a 130n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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54n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24194
PNG
(3-aminopropylphosphinic derivative, (S)-7 | [(2S)-...)
Show SMILES NC[C@H](F)CP(O)=O |r|
Show InChI InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
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70 -40.4n/an/a 250n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24186
PNG
((3-amino-2-hydroxypropyl)phosphinic acid | 3-amino...)
Show SMILES NCC(=O)CP(O)O
Show InChI InChI=1S/C3H8NO3P/c4-1-3(5)2-8(6)7/h6-7H,1-2,4H2
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94 -39.7n/an/a 220n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24189
PNG
(3-aminopropylphosphinic derivative, (R)-4 | 3-amin...)
Show SMILES CP(O)(O)CC(=O)CN
Show InChI InChI=1S/C4H12NO3P/c1-9(7,8)3-4(6)2-5/h7-9H,2-3,5H2,1H3
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180 -38.1n/an/a 150n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24192
PNG
((3-amino-2-oxopropyl)(methyl)phosphinic acid | (3-...)
Show SMILES CP(O)(=O)CC(=O)CN
Show InChI InChI=1S/C4H10NO3P/c1-9(7,8)3-4(6)2-5/h2-3,5H2,1H3,(H,7,8)
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200 -37.9n/an/a 270n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50021536
PNG
(CHEMBL3290576)
Show SMILES CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN6/c1-20-6-8-21(9-7-20)14-18-12(17-13(16)19-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H2,16,17,18,19)
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203n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-histamine from human histamine H4 receptor expressed in insect Sf9 cell membrane co-expressing Galphai2/Gbeta1gamma2 subunits af...


Eur J Med Chem 83: 534-46 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.032
BindingDB Entry DOI: 10.7270/Q2W097HQ
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24182
PNG
(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
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220 -37.6n/an/a 750n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50127245
PNG
(CHEMBL3628042)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(Cl)c2)n1
Show InChI InChI=1S/C16H19ClN6/c1-22-7-9-23(10-8-22)16-20-14(19-15(18)21-16)6-5-12-3-2-4-13(17)11-12/h2-6,11H,7-10H2,1H3,(H2,18,19,20,21)/b6-5+
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253n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...


Eur J Med Chem 103: 238-51 (2015)


BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50021531
PNG
(CHEMBL3290577)
Show SMILES CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C14H17FN6/c1-20-6-8-21(9-7-20)14-18-12(17-13(16)19-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H2,16,17,18,19)
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378n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-histamine from human histamine H4 receptor expressed in insect Sf9 cell membrane co-expressing Galphai2/Gbeta1gamma2 subunits af...


Eur J Med Chem 83: 534-46 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.032
BindingDB Entry DOI: 10.7270/Q2W097HQ
More data for this
Ligand-Target Pair
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