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12 similar compounds to monomer 50142623

Wt: 500.5
BDBM50142620
Wt: 355.2
BDBM50142629
Wt: 290.3
BDBM50142630
Wt: 203.2
BDBM50142625
Wt: 327.1
BDBM50142612
Wt: 327.1
BDBM50142613
Wt: 257.2
BDBM50142617
Wt: 514.6
BDBM50142621
Wt: 497.5
BDBM50142622
Wt: 207.2
BDBM50142626
Wt: 310.7
BDBM50142628
Wt: 434.1
BDBM50142631

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50142620,50142629,50142630,50142625,50142612,50142613,50142617,50142621,50142622,50142626,50142628,50142631   
Target
(Institution)
LigandTarget
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
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50142622
PNG
(CHEMBL3758292)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26+/s2
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0.0210n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor (unknown origin)


Eur J Med Chem 108: 211-28 (2016)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50142621
PNG
(CHEMBL3759292)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)NCc1ccccc1
Show InChI InChI=1/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27+/s2
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0.0310n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor (unknown origin)


Eur J Med Chem 108: 211-28 (2016)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50142620
PNG
(CHEMBL3758712)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)Nc1ccccc1
Show InChI InChI=1/C29H32N4O4/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(37)33-17-21-9-7-6-8-20(21)14-26(33)28(36)31-16-27(35)32-22-10-4-3-5-11-22/h3-13,25-26,34H,14-17,30H2,1-2H3,(H,31,36)(H,32,35)/t25-,26+/s2
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0.0420n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor (unknown origin)


Eur J Med Chem 108: 211-28 (2016)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (human))
BDBM50142621
PNG
(CHEMBL3759292)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)NCc1ccccc1
Show InChI InChI=1/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27+/s2
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0.151n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Eur J Med Chem 108: 211-28 (2016)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50142621
PNG
(CHEMBL3759292)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)NCc1ccccc1
Show InChI InChI=1/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27+/s2
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0.160n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor (unknown origin)


Eur J Med Chem 108: 211-28 (2016)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50142620
PNG
(CHEMBL3758712)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)Nc1ccccc1
Show InChI InChI=1/C29H32N4O4/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(37)33-17-21-9-7-6-8-20(21)14-26(33)28(36)31-16-27(35)32-22-10-4-3-5-11-22/h3-13,25-26,34H,14-17,30H2,1-2H3,(H,31,36)(H,32,35)/t25-,26+/s2
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0.160n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding affinity at delta opioid receptor (unknown origin)


Eur J Med Chem 108: 211-28 (2016)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50142622
PNG
(CHEMBL3758292)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26+/s2
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0.5n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor (unknown origin)


Eur J Med Chem 108: 211-28 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50142628
PNG
(CHEMBL3759717)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Cl)ccc1O
Show InChI InChI=1S/C13H11ClN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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9.40n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50142629
PNG
(CHEMBL3758993)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)ccc1O
Show InChI InChI=1S/C13H11BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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10n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50142630
PNG
(CHEMBL3758347)
Show SMILES Cc1cccc(\C=N\c2ccc(cc2)S(N)(=O)=O)c1O
Show InChI InChI=1S/C14H14N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
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12n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50142621
PNG
(CHEMBL3759292)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)NCc1ccccc1
Show InChI InChI=1/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27+/s2
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16n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from human mu opioid receptor expressed in CHO cells by liquid scintillation counting


Eur J Med Chem 108: 211-28 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50142631
PNG
(CHEMBL3758997)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C13H10Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-7,18H,(H2,16,19,20)/b17-7+
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39n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50142628
PNG
(CHEMBL3759717)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Cl)ccc1O
Show InChI InChI=1S/C13H11ClN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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48n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(HUMAN-Homo sapiens)
BDBM50142626
PNG
(CHEMBL3758480)
Show SMILES OCc1cc(F)cc(c1)C1=NCCCC1
Show InChI InChI=1S/C12H14FNO/c13-11-6-9(8-15)5-10(7-11)12-3-1-2-4-14-12/h5-7,15H,1-4,8H2
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80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(HUMAN-Homo sapiens)
BDBM50142625
PNG
(CHEMBL3758513)
Show SMILES OCc1cccc(c1)[C@H]1C[C@@H]2CC[C@H]1N2
Show InChI InChI=1/C13H17NO/c15-8-9-2-1-3-10(6-9)12-7-11-4-5-13(12)14-11/h1-3,6,11-15H,4-5,7-8H2/t11-,12+,13+/s2
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92n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50142629
PNG
(CHEMBL3758993)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)ccc1O
Show InChI InChI=1S/C13H11BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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248n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50142631
PNG
(CHEMBL3758997)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C13H10Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-7,18H,(H2,16,19,20)/b17-7+
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251n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50142629
PNG
(CHEMBL3758993)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)ccc1O
Show InChI InChI=1S/C13H11BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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257n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50142630
PNG
(CHEMBL3758347)
Show SMILES Cc1cccc(\C=N\c2ccc(cc2)S(N)(=O)=O)c1O
Show InChI InChI=1S/C14H14N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
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264n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50142631
PNG
(CHEMBL3758997)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C13H10Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-7,18H,(H2,16,19,20)/b17-7+
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360n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50142628
PNG
(CHEMBL3759717)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Cl)ccc1O
Show InChI InChI=1S/C13H11ClN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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404n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50142625
PNG
(CHEMBL3758513)
Show SMILES OCc1cccc(c1)[C@H]1C[C@@H]2CC[C@H]1N2
Show InChI InChI=1/C13H17NO/c15-8-9-2-1-3-10(6-9)12-7-11-4-5-13(12)14-11/h1-3,6,11-15H,4-5,7-8H2/t11-,12+,13+/s2
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429n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from rat alpha4beta2 nACh receptor expressed in rat cortical membrane preincubated for 30 mins followed by radioliga...


Eur J Med Chem 108: 392-405 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50142629
PNG
(CHEMBL3758993)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)ccc1O
Show InChI InChI=1S/C13H11BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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458n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50142630
PNG
(CHEMBL3758347)
Show SMILES Cc1cccc(\C=N\c2ccc(cc2)S(N)(=O)=O)c1O
Show InChI InChI=1S/C14H14N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
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463n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50142630
PNG
(CHEMBL3758347)
Show SMILES Cc1cccc(\C=N\c2ccc(cc2)S(N)(=O)=O)c1O
Show InChI InChI=1S/C14H14N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
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465n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50142626
PNG
(CHEMBL3758480)
Show SMILES OCc1cc(F)cc(c1)C1=NCCCC1
Show InChI InChI=1S/C12H14FNO/c13-11-6-9(8-15)5-10(7-11)12-3-1-2-4-14-12/h5-7,15H,1-4,8H2
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744n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from rat alpha4beta2 nACh receptor expressed in rat cortical membrane preincubated for 30 mins followed by radioliga...


Eur J Med Chem 108: 392-405 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50142626
PNG
(CHEMBL3758480)
Show SMILES OCc1cc(F)cc(c1)C1=NCCCC1
Show InChI InChI=1S/C12H14FNO/c13-11-6-9(8-15)5-10(7-11)12-3-1-2-4-14-12/h5-7,15H,1-4,8H2
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821n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I] alpha bungarotoxin from rat alpha7 nACh receptor expressed in rat hippocampal membrane preincubated for 30 mins followed by ra...


Eur J Med Chem 108: 392-405 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50142625
PNG
(CHEMBL3758513)
Show SMILES OCc1cccc(c1)[C@H]1C[C@@H]2CC[C@H]1N2
Show InChI InChI=1/C13H17NO/c15-8-9-2-1-3-10(6-9)12-7-11-4-5-13(12)14-11/h1-3,6,11-15H,4-5,7-8H2/t11-,12+,13+/s2
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1.80E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I] alpha bungarotoxin from rat alpha7 nACh receptor expressed in rat hippocampal membrane preincubated for 30 mins followed by ra...


Eur J Med Chem 108: 392-405 (2016)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50142612
PNG
(CHEMBL3758318)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1ccc(O)nc1)C(O)=O
Show InChI InChI=1/C14H12Cl2N2O3/c15-10-4-7(5-11(17)14(20)21)3-9(13(10)16)8-1-2-12(19)18-6-8/h1-4,6,11H,5,17H2,(H,18,19)(H,20,21)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting...


J Med Chem 59: 448-61 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50142631
PNG
(CHEMBL3758997)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C13H10Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-7,18H,(H2,16,19,20)/b17-7+
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>5.00E+4n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50142613
PNG
(CHEMBL3758779)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1cncc(O)c1)C(O)=O
Show InChI InChI=1/C14H12Cl2N2O3/c15-11-2-7(3-12(17)14(20)21)1-10(13(11)16)8-4-9(19)6-18-5-8/h1-2,4-6,12,19H,3,17H2,(H,20,21)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting...


J Med Chem 59: 448-61 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50142628
PNG
(CHEMBL3759717)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Cl)ccc1O
Show InChI InChI=1S/C13H11ClN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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>5.00E+4n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50142617
PNG
(CHEMBL3758644)
Show SMILES N[C@@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting...


J Med Chem 59: 448-61 (2016)

More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50142617
PNG
(CHEMBL3758644)
Show SMILES N[C@@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat cloned GluA1o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method


J Med Chem 59: 448-61 (2016)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50142617
PNG
(CHEMBL3758644)
Show SMILES N[C@@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from full length rat cloned GluA2(R)o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation count...


J Med Chem 59: 448-61 (2016)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50142617
PNG
(CHEMBL3758644)
Show SMILES N[C@@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from cloned rat GluK2(V,C,R)A receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting m...


J Med Chem 59: 448-61 (2016)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50142617
PNG
(CHEMBL3758644)
Show SMILES N[C@@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from cloned rat GluK3A receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method


J Med Chem 59: 448-61 (2016)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 3


(Rattus norvegicus)
BDBM50142617
PNG
(CHEMBL3758644)
Show SMILES N[C@@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat cloned GluA3o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method


J Med Chem 59: 448-61 (2016)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50142622
PNG
(CHEMBL3758292)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26+/s2
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n/an/an/an/a 0.0200n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vas deferens


Eur J Med Chem 108: 211-28 (2016)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50142621
PNG
(CHEMBL3759292)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)NCc1ccccc1
Show InChI InChI=1/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27+/s2
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n/an/an/an/a 2.60n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vas deferens


Eur J Med Chem 108: 211-28 (2016)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50142621
PNG
(CHEMBL3759292)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)NCc1ccccc1
Show InChI InChI=1/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27+/s2
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n/an/an/an/a 32n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced twitches


Eur J Med Chem 108: 211-28 (2016)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50142620
PNG
(CHEMBL3758712)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)Nc1ccccc1
Show InChI InChI=1/C29H32N4O4/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(37)33-17-21-9-7-6-8-20(21)14-26(33)28(36)31-16-27(35)32-22-10-4-3-5-11-22/h3-13,25-26,34H,14-17,30H2,1-2H3,(H,31,36)(H,32,35)/t25-,26+/s2
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n/an/an/an/a 3n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vas deferens


Eur J Med Chem 108: 211-28 (2016)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (human))
BDBM50142622
PNG
(CHEMBL3758292)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26+/s2
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n/an/an/an/a 0.0813n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at human delta-opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Eur J Med Chem 108: 211-28 (2016)

More data for this
Ligand-Target Pair