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25 similar compounds to monomer 50110183

Compile data set for download or QSAR
Wt: 559.4
BDBM50062230
Wt: 569.4
BDBM50062233
Wt: 287.4
BDBM50061008
Wt: 555.0
BDBM50062227
Wt: 599.5
BDBM50062235
Wt: 510.6
BDBM50062243
Wt: 545.0
BDBM50062245
Wt: 278.2
BDBM50110175
Wt: 566.0
BDBM50110178
Purchase
Wt: 400.2
BDBM50110185
Wt: 401.2
BDBM50110186
Wt: 370.3
BDBM50110191
Wt: 352.3
BDBM50110196
Wt: 375.2
BDBM50110169
Wt: 406.2
BDBM50110170
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50062230,50062233,50061008,50062227,50062235,50062243,50062245,50110175,50110178,50110185,50110186,50110191,50110196,50110169,50110170   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061008
PNG
(CHEMBL3393556 | US9732087, 96)
Show SMILES CN[C@@H]1CCN(C1)c1cnnc(NC2CC3CCC2C3)c1
Show InChI InChI=1S/C16H25N5/c1-17-13-4-5-21(10-13)14-8-16(20-18-9-14)19-15-7-11-2-3-12(15)6-11/h8-9,11-13,15,17H,2-7,10H2,1H3,(H,19,20)/t11?,12?,13-,15?/m1/s1
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US Patent
1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cell pellets from SK-N-MC cells stably or transiently transfected with human H4 receptor (NCBI accession No. AF312230) were used for the binding assa...


US Patent US9732087 (2017)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q2251M9T
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061008
PNG
(CHEMBL3393556 | US9732087, 96)
Show SMILES CN[C@@H]1CCN(C1)c1cnnc(NC2CC3CCC2C3)c1
Show InChI InChI=1S/C16H25N5/c1-17-13-4-5-21(10-13)14-8-16(20-18-9-14)19-15-7-11-2-3-12(15)6-11/h8-9,11-13,15,17H,2-7,10H2,1H3,(H,19,20)/t11?,12?,13-,15?/m1/s1
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8n/an/an/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 956-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.027
BindingDB Entry DOI: 10.7270/Q2639RDD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062243
PNG
(CHEMBL3397069)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1
Show InChI InChI=1S/C31H31FN4O2/c32-24-11-12-27-25(20-24)26(21-33-27)22-13-18-34(19-14-22)15-6-7-17-36-30(37)29(23-8-2-1-3-9-23)28-10-4-5-16-35(28)31(36)38/h1-5,8-12,16,20-22,33H,6-7,13-15,17-19H2
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12n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat brain hippocampus 5-HT1A receptor by radioligand binding assay


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50062243
PNG
(CHEMBL3397069)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1
Show InChI InChI=1S/C31H31FN4O2/c32-24-11-12-27-25(20-24)26(21-33-27)22-13-18-34(19-14-22)15-6-7-17-36-30(37)29(23-8-2-1-3-9-23)28-10-4-5-16-35(28)31(36)38/h1-5,8-12,16,20-22,33H,6-7,13-15,17-19H2
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16n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062235
PNG
(CHEMBL3397094)
Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O
Show InChI InChI=1S/C32H31BrN4O3/c1-40-25-10-7-23(8-11-25)30-29-6-2-3-16-36(29)32(39)37(31(30)38)17-5-4-15-35-18-13-22(14-19-35)27-21-34-28-12-9-24(33)20-26(27)28/h2-3,6-13,16,20-21,34H,4-5,14-15,17-19H2,1H3
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23n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat brain hippocampus 5-HT1A receptor by radioligand binding assay


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50062245
PNG
(CHEMBL3397071)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)CC3)c2c1
Show InChI InChI=1S/C31H30ClFN4O2/c32-23-8-6-22(7-9-23)29-28-5-1-2-15-36(28)31(39)37(30(29)38)16-4-3-14-35-17-12-21(13-18-35)26-20-34-27-11-10-24(33)19-25(26)27/h1-2,5-11,15,19-21,34H,3-4,12-14,16-18H2
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26n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062233
PNG
(CHEMBL3397092)
Show SMILES Brc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1
Show InChI InChI=1S/C31H29BrN4O2/c32-24-11-12-27-25(20-24)26(21-33-27)22-13-18-34(19-14-22)15-6-7-17-36-30(37)29(23-8-2-1-3-9-23)28-10-4-5-16-35(28)31(36)38/h1-5,8-13,16,20-21,33H,6-7,14-15,17-19H2
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40n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat brain hippocampus 5-HT1A receptor by radioligand binding assay


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062230
PNG
(CHEMBL3397089)
Show SMILES Clc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)CC3)c2c1
Show InChI InChI=1S/C31H28Cl2N4O2/c32-22-10-11-27-24(19-22)25(20-34-27)21-12-17-35(18-13-21)14-5-6-16-37-30(38)29(23-7-1-2-8-26(23)33)28-9-3-4-15-36(28)31(37)39/h1-4,7-12,15,19-20,34H,5-6,13-14,16-18H2
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74n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat brain hippocampus 5-HT1A receptor by radioligand binding assay


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062245
PNG
(CHEMBL3397071)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)CC3)c2c1
Show InChI InChI=1S/C31H30ClFN4O2/c32-23-8-6-22(7-9-23)29-28-5-1-2-15-36(28)31(39)37(30(29)38)16-4-3-14-35-17-12-21(13-18-35)26-20-34-27-11-10-24(33)19-25(26)27/h1-2,5-11,15,19-21,34H,3-4,12-14,16-18H2
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84n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat brain hippocampus 5-HT1A receptor by radioligand binding assay


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50062227
PNG
(CHEMBL3397086)
Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Cl)cc23)c1=O
Show InChI InChI=1S/C32H31ClN4O3/c1-40-25-10-7-23(8-11-25)30-29-6-2-3-16-36(29)32(39)37(31(30)38)17-5-4-15-35-18-13-22(14-19-35)27-21-34-28-12-9-24(33)20-26(27)28/h2-3,6-13,16,20-21,34H,4-5,14-15,17-19H2,1H3
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278n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat brain hippocampus 5-HT1A receptor by radioligand binding assay


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50062227
PNG
(CHEMBL3397086)
Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Cl)cc23)c1=O
Show InChI InChI=1S/C32H31ClN4O3/c1-40-25-10-7-23(8-11-25)30-29-6-2-3-16-36(29)32(39)37(31(30)38)17-5-4-15-35-18-13-22(14-19-35)27-21-34-28-12-9-24(33)20-26(27)28/h2-3,6-13,16,20-21,34H,4-5,14-15,17-19H2,1H3
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312n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50062235
PNG
(CHEMBL3397094)
Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O
Show InChI InChI=1S/C32H31BrN4O3/c1-40-25-10-7-23(8-11-25)30-29-6-2-3-16-36(29)32(39)37(31(30)38)17-5-4-15-35-18-13-22(14-19-35)27-21-34-28-12-9-24(33)20-26(27)28/h2-3,6-13,16,20-21,34H,4-5,14-15,17-19H2,1H3
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327n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50062230
PNG
(CHEMBL3397089)
Show SMILES Clc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)CC3)c2c1
Show InChI InChI=1S/C31H28Cl2N4O2/c32-22-10-11-27-24(19-22)25(20-34-27)21-12-17-35(18-13-21)14-5-6-16-37-30(38)29(23-7-1-2-8-26(23)33)28-9-3-4-15-36(28)31(37)39/h1-4,7-12,15,19-20,34H,5-6,13-14,16-18H2
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774n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50062233
PNG
(CHEMBL3397092)
Show SMILES Brc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1
Show InChI InChI=1S/C31H29BrN4O2/c32-24-11-12-27-25(20-24)26(21-33-27)22-13-18-34(19-14-22)15-6-7-17-36-30(37)29(23-8-2-1-3-9-23)28-10-4-5-16-35(28)31(36)38/h1-5,8-13,16,20-21,33H,6-7,14-15,17-19H2
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840n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50110178
PNG
(CHEMBL3603847)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a 3.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive inhibition of human CDK7 in presence of ATP


Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50110185
PNG
(CHEMBL3604467)
Show SMILES C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(N)=O)ncc1Br
Show InChI InChI=1S/C14H18BrN5O2S/c1-8(9(2)21)18-13-12(15)7-17-14(20-13)19-10-3-5-11(6-4-10)23(16)22/h3-9,21H,16H2,1-2H3,(H2,17,18,19,20)/t8-,9-,23?/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50110186
PNG
(CHEMBL3604468)
Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(N)=O)ncc1Br
Show InChI InChI=1S/C14H17BrN4O3S/c1-8(20)9(2)22-13-12(15)7-17-14(19-13)18-10-3-5-11(6-4-10)23(16)21/h3-9,20H,16H2,1-2H3,(H,17,18,19)/t8-,9-,23?/m1/s1
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n/an/a 122n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM50110170
PNG
(CHEMBL3604425)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1cccc(F)n1
Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-26-15(23-24-17(26)13-6-3-7-14(21)22-13)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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n/an/a 1.69E+3n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM50110169
PNG
(CHEMBL2218113)
Show SMILES Clc1cccc(C(=O)N2CCn3c(C2)nnc3-c2cnccn2)c1Cl
Show InChI InChI=1S/C16H12Cl2N6O/c17-11-3-1-2-10(14(11)18)16(25)23-6-7-24-13(9-23)21-22-15(24)12-8-19-4-5-20-12/h1-5,8H,6-7,9H2
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n/an/a 3.32E+3n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110170
PNG
(CHEMBL3604425)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1cccc(F)n1
Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-26-15(23-24-17(26)13-6-3-7-14(21)22-13)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110169
PNG
(CHEMBL2218113)
Show SMILES Clc1cccc(C(=O)N2CCn3c(C2)nnc3-c2cnccn2)c1Cl
Show InChI InChI=1S/C16H12Cl2N6O/c17-11-3-1-2-10(14(11)18)16(25)23-6-7-24-13(9-23)21-22-15(24)12-8-19-4-5-20-12/h1-5,8H,6-7,9H2
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n/an/a>10n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity against human P2X7 receptor expressed in HEK293 cells by FLIPR based calcium accumulation assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110169
PNG
(CHEMBL2218113)
Show SMILES Clc1cccc(C(=O)N2CCn3c(C2)nnc3-c2cnccn2)c1Cl
Show InChI InChI=1S/C16H12Cl2N6O/c17-11-3-1-2-10(14(11)18)16(25)23-6-7-24-13(9-23)21-22-15(24)12-8-19-4-5-20-12/h1-5,8H,6-7,9H2
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n/an/a 1.90n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50110175
PNG
(CHEMBL3604459)
Show SMILES NS(=O)c1ccc(cc1)\N=N\c1ccc(O)[nH]c1=O
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n/an/a 4.50E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive inhibition of human CDK2/cyclinA using PKTPKKAKKL as substrate in presence of ATP


Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50110185
PNG
(CHEMBL3604467)
Show SMILES C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(N)=O)ncc1Br
Show InChI InChI=1S/C14H18BrN5O2S/c1-8(9(2)21)18-13-12(15)7-17-14(20-13)19-10-3-5-11(6-4-10)23(16)22/h3-9,21H,16H2,1-2H3,(H2,17,18,19,20)/t8-,9-,23?/m1/s1
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n/an/a 403n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-2 (unknown origin)


Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50110196
PNG
(CHEMBL3605283)
Show SMILES Fc1cccc(OCc2nc3CCN(Cc3o2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H17FN2O3/c21-15-7-4-8-16(11-15)25-13-19-22-17-9-10-23(12-18(17)26-19)20(24)14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2
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n/an/an/an/a 290n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 3515-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.096
BindingDB Entry DOI: 10.7270/Q2ZK5JFH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50110191
PNG
(CHEMBL3605278)
Show SMILES Fc1ccc(OCc2nc3CCN(Cc3o2)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H16F2N2O3/c21-14-3-1-13(2-4-14)20(25)24-10-9-17-18(11-24)27-19(23-17)12-26-16-7-5-15(22)6-8-16/h1-8H,9-12H2
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n/an/an/an/a 660n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 3515-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.096
BindingDB Entry DOI: 10.7270/Q2ZK5JFH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50110196
PNG
(CHEMBL3605283)
Show SMILES Fc1cccc(OCc2nc3CCN(Cc3o2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H17FN2O3/c21-15-7-4-8-16(11-15)25-13-19-22-17-9-10-23(12-18(17)26-19)20(24)14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2
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n/an/an/an/a 295n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 3515-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.096
BindingDB Entry DOI: 10.7270/Q2ZK5JFH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061008
PNG
(CHEMBL3393556 | US9732087, 96)
Show SMILES CN[C@@H]1CCN(C1)c1cnnc(NC2CC3CCC2C3)c1
Show InChI InChI=1S/C16H25N5/c1-17-13-4-5-21(10-13)14-8-16(20-18-9-14)19-15-7-11-2-3-12(15)6-11/h8-9,11-13,15,17H,2-7,10H2,1H3,(H,19,20)/t11?,12?,13-,15?/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H4 receptor expressed in SK-N-MC cells assessed as effect on forskolin-stimulated cAMP-mediated repor...


Bioorg Med Chem Lett 25: 956-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.027
BindingDB Entry DOI: 10.7270/Q2639RDD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50110191
PNG
(CHEMBL3605278)
Show SMILES Fc1ccc(OCc2nc3CCN(Cc3o2)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H16F2N2O3/c21-14-3-1-13(2-4-14)20(25)24-10-9-17-18(11-24)27-19(23-17)12-26-16-7-5-15(22)6-8-16/h1-8H,9-12H2
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n/an/an/an/a 661n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 3515-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.096
BindingDB Entry DOI: 10.7270/Q2ZK5JFH
More data for this
Ligand-Target Pair