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Compile Data Set for Download or QSAR

Found 215 hits with Last Name = 'klupsch' and Initial = 'f'   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397390
PNG
(CHEMBL2170545)
Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)cc1C |TLB:20:19:17:13.14.15,THB:20:14:11.19.18:17,15:14:11:18.16.17,15:16:11:13.20.14,10:11:17:13.14.15,(25.24,-38.56,;26.58,-39.34,;27.92,-38.57,;29.25,-39.35,;30.6,-38.58,;31.93,-39.36,;33.27,-38.58,;34.61,-39.36,;35.95,-38.59,;35.95,-37.05,;37.29,-39.37,;38.73,-38.65,;39.88,-37.52,;41.08,-38.03,;42.39,-37.76,;42.46,-36.35,;41.19,-35.76,;39.93,-36.15,;40.18,-36.86,;40.13,-38.32,;41.4,-38.9,;34.61,-40.91,;35.94,-41.68,;33.26,-41.67,;31.93,-40.9,;30.59,-41.67,)|
Show InChI InChI=1S/C22H32N2O2/c1-3-4-5-6-24-13-19(20(25)7-14(24)2)22(26)23-21-17-9-15-8-16(11-17)12-18(21)10-15/h7,13,15-18,21H,3-6,8-12H2,1-2H3,(H,23,26)
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0.260n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397387
PNG
(CHEMBL2170532)
Show SMILES Cc1cc(=O)c(cn1CCCC(F)(F)F)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C21H27F3N2O2/c1-13-5-18(27)17(12-26(13)4-2-3-21(22,23)24)19(28)25-20-9-14-6-15(10-20)8-16(7-14)11-20/h5,12,14-16H,2-4,6-11H2,1H3,(H,25,28)
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0.280n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50081023
PNG
(CHEMBL3421699)
Show SMILES CCCCCn1cc2c(nn(CC34CC5CC(CC(C5)C3)C4)c2=O)c2ccccc12 |TLB:19:14:21:18.20.17,19:18:21:13.14.15,THB:17:16:13:19.18.20,17:18:13:21.15.16|
Show InChI InChI=1S/C26H33N3O/c1-2-3-6-9-28-16-22-24(21-7-4-5-8-23(21)28)27-29(25(22)30)17-26-13-18-10-19(14-26)12-20(11-18)15-26/h4-5,7-8,16,18-20H,2-3,6,9-15,17H2,1H3
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0.390n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50081021
PNG
(CHEMBL3421697)
Show SMILES CCCCCn1cc2c(nn(CC3CCCCC3)c2=O)c2ccccc12
Show InChI InChI=1S/C22H29N3O/c1-2-3-9-14-24-16-19-21(18-12-7-8-13-20(18)24)23-25(22(19)26)15-17-10-5-4-6-11-17/h7-8,12-13,16-17H,2-6,9-11,14-15H2,1H3
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0.620n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50081031
PNG
(CHEMBL3421694)
Show SMILES CCCCCn1nc2c(cn(CCCCC)c3ccccc23)c1=O
Show InChI InChI=1S/C20H27N3O/c1-3-5-9-13-22-15-17-19(16-11-7-8-12-18(16)22)21-23(20(17)24)14-10-6-4-2/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3
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4.30n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397391
PNG
(CHEMBL2170544)
Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1C |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
Show InChI InChI=1S/C24H36N2O2/c1-4-5-6-7-26-15-21(22(27)8-16(26)2)23(28)25-17(3)24-12-18-9-19(13-24)11-20(10-18)14-24/h8,15,17-20H,4-7,9-14H2,1-3H3,(H,25,28)
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6.40n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50081029
PNG
(CHEMBL3421695)
Show SMILES CCCCCCn1nc2c(cn(CCCCC)c3ccccc23)c1=O
Show InChI InChI=1S/C21H29N3O/c1-3-5-7-11-15-24-21(25)18-16-23(14-10-6-4-2)19-13-9-8-12-17(19)20(18)22-24/h8-9,12-13,16H,3-7,10-11,14-15H2,1-2H3
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7.70n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50081022
PNG
(CHEMBL3421698)
Show SMILES CCCCCn1cc2c(nn(CCC3CCCCC3)c2=O)c2ccccc12
Show InChI InChI=1S/C23H31N3O/c1-2-3-9-15-25-17-20-22(19-12-7-8-13-21(19)25)24-26(23(20)27)16-14-18-10-5-4-6-11-18/h7-8,12-13,17-18H,2-6,9-11,14-16H2,1H3
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8n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397396
PNG
(CHEMBL2170550)
Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
Show InChI InChI=1S/C27H42N2O2/c1-6-7-8-9-29-17-22(23(30)13-24(29)26(3,4)5)25(31)28-18(2)27-14-19-10-20(15-27)12-21(11-19)16-27/h13,17-21H,6-12,14-16H2,1-5H3,(H,28,31)
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9n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50329603
PNG
(CHEMBL1270532 | N-(Piperidino-1-ethyl)-1-[4-(amino...)
Show SMILES Cc1c(cc(-c2ccc3ccccc3c2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C29H32N4O3S/c1-21-27(29(34)31-15-18-32-16-5-2-6-17-32)20-28(24-10-9-22-7-3-4-8-23(22)19-24)33(21)25-11-13-26(14-12-25)37(30,35)36/h3-4,7-14,19-20H,2,5-6,15-18H2,1H3,(H,31,34)(H2,30,35,36)
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9n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397393
PNG
(CHEMBL2170547)
Show SMILES CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)cc1C(C)(C)C
Show InChI InChI=1S/C21H28N2O2/c1-5-6-10-13-23-15-17(18(24)14-19(23)21(2,3)4)20(25)22-16-11-8-7-9-12-16/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3,(H,22,25)
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9.20n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397395
PNG
(CHEMBL2170549)
Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)cc1C(C)(C)C |TLB:20:19:17:13.14.15,THB:10:11:17:13.14.15,20:14:11.19.18:17,15:14:11:18.16.17,15:16:11:13.20.14,(4.03,-16.9,;5.37,-17.68,;6.72,-16.91,;8.05,-17.69,;9.39,-16.91,;10.72,-17.69,;12.07,-16.92,;13.41,-17.7,;14.74,-16.93,;14.75,-15.38,;16.08,-17.71,;17.52,-16.99,;18.67,-15.86,;19.88,-16.36,;21.18,-16.1,;21.25,-14.69,;19.98,-14.1,;18.72,-14.49,;18.98,-15.2,;18.92,-16.66,;20.19,-17.24,;13.4,-19.24,;14.74,-20.02,;12.06,-20.01,;10.72,-19.24,;9.38,-20,;9.38,-21.54,;8.05,-19.23,;8.04,-20.77,)|
Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-27-15-20(21(28)14-22(27)25(2,3)4)24(29)26-23-18-10-16-9-17(12-18)13-19(23)11-16/h14-19,23H,5-13H2,1-4H3,(H,26,29)
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9.60n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50329602
PNG
(CHEMBL1270531 | N-[2-(Pyrrolidinyl-1-ethyl)]-1-[4-...)
Show SMILES Cc1c(cc(-c2ccc3ccccc3c2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C28H30N4O3S/c1-20-26(28(33)30-14-17-31-15-4-5-16-31)19-27(23-9-8-21-6-2-3-7-22(21)18-23)32(20)24-10-12-25(13-11-24)36(29,34)35/h2-3,6-13,18-19H,4-5,14-17H2,1H3,(H,30,33)(H2,29,34,35)
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10n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50329599
PNG
(CHEMBL1270341 | N-[2-(Dimethylamino)ethyl]-1-[4-(a...)
Show SMILES CN(C)CCNC(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C26H28N4O3S/c1-18-24(26(31)28-14-15-29(2)3)17-25(21-9-8-19-6-4-5-7-20(19)16-21)30(18)22-10-12-23(13-11-22)34(27,32)33/h4-13,16-17H,14-15H2,1-3H3,(H,28,31)(H2,27,32,33)
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10n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50329601
PNG
(4-{2-Methyl-3-[(4-methylpiperazino)carbonyl]-5-(2-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C27H28N4O3S/c1-19-25(27(32)30-15-13-29(2)14-16-30)18-26(22-8-7-20-5-3-4-6-21(20)17-22)31(19)23-9-11-24(12-10-23)35(28,33)34/h3-12,17-18H,13-16H2,1-2H3,(H2,28,33,34)
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10n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50081015
PNG
(CHEMBL3421696)
Show SMILES CCCCCn1cc2c(nn(CC3CC3)c2=O)c2ccccc12
Show InChI InChI=1S/C19H23N3O/c1-2-3-6-11-21-13-16-18(15-7-4-5-8-17(15)21)20-22(19(16)23)12-14-9-10-14/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3
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10n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397397
PNG
(CHEMBL2170551)
Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
Show InChI InChI=1S/C26H40N2O2/c1-5-6-7-8-28-16-21(22(29)12-23(28)25(2,3)4)24(30)27-17-26-13-18-9-19(14-26)11-20(10-18)15-26/h12,16,18-20H,5-11,13-15,17H2,1-4H3,(H,27,30)
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10.2n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50329600
PNG
(CHEMBL1270437 | N-(Dimethylaminopropyl)-1-[4-(amin...)
Show SMILES CN(C)CCCNC(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C27H30N4O3S/c1-19-25(27(32)29-15-6-16-30(2)3)18-26(22-10-9-20-7-4-5-8-21(20)17-22)31(19)23-11-13-24(14-12-23)35(28,33)34/h4-5,7-14,17-18H,6,15-16H2,1-3H3,(H,29,32)(H2,28,33,34)
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11n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397383
PNG
(CHEMBL2170526)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(C2CC2)c1C |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C25H36N2O2/c1-3-4-5-8-27-15-21(23(28)22(16(27)2)20-6-7-20)24(29)26-25-12-17-9-18(13-25)11-19(10-17)14-25/h15,17-20H,3-14H2,1-2H3,(H,26,29)
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13.4n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397394
PNG
(CHEMBL2170548)
Show SMILES CCCCCn1cc(C(=O)NCC2CC2)c(=O)cc1C(C)(C)C
Show InChI InChI=1S/C19H30N2O2/c1-5-6-7-10-21-13-15(18(23)20-12-14-8-9-14)16(22)11-17(21)19(2,3)4/h11,13-14H,5-10,12H2,1-4H3,(H,20,23)
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14.1n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397392
PNG
(CHEMBL2170546)
Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
Show InChI InChI=1S/C23H34N2O2/c1-3-4-5-6-25-14-20(21(26)7-16(25)2)22(27)24-15-23-11-17-8-18(12-23)10-19(9-17)13-23/h7,14,17-19H,3-6,8-13,15H2,1-2H3,(H,24,27)
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15.2n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50329600
PNG
(CHEMBL1270437 | N-(Dimethylaminopropyl)-1-[4-(amin...)
Show SMILES CN(C)CCCNC(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C27H30N4O3S/c1-19-25(27(32)29-15-6-16-30(2)3)18-26(22-10-9-20-7-4-5-8-21(20)17-22)31(19)23-11-13-24(14-12-23)35(28,33)34/h4-5,7-14,17-18H,6,15-16H2,1-3H3,(H,29,32)(H2,28,33,34)
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16n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50081028
PNG
(CHEMBL3421689)
Show SMILES CCCCCn1cc2c(nn(C3CCCCC3)c2=O)c2ccccc12
Show InChI InChI=1S/C21H27N3O/c1-2-3-9-14-23-15-18-20(17-12-7-8-13-19(17)23)22-24(21(18)25)16-10-5-4-6-11-16/h7-8,12-13,15-16H,2-6,9-11,14H2,1H3
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19n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397386
PNG
(CHEMBL2170530)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(I)c1C |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C22H31IN2O2/c1-3-4-5-6-25-13-18(20(26)19(23)14(25)2)21(27)24-22-10-15-7-16(11-22)9-17(8-15)12-22/h13,15-17H,3-12H2,1-2H3,(H,24,27)
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20.8n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224062
PNG
(CHEMBL235487 | N3-((1-adamantyl)methyl)-4-oxo-1-pe...)
Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |TLB:11:12:15:19.17.18,THB:17:16:13:19.18.20,17:18:15.16.21:13,20:18:15:21.12.13,20:12:15:19.17.18|
Show InChI InChI=1S/C26H34N2O2/c1-2-3-6-9-28-16-22(24(29)21-7-4-5-8-23(21)28)25(30)27-17-26-13-18-10-19(14-26)12-20(11-18)15-26/h4-5,7-8,16,18-20H,2-3,6,9-15,17H2,1H3,(H,27,30)
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22n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50329606
PNG
(CHEMBL1270836 | N-(2-Morpholinoethyl)-1-[4-(aminos...)
Show SMILES Cc1c(cc(-c2ccc3ccccc3c2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C28H30N4O4S/c1-20-26(28(33)30-12-13-31-14-16-36-17-15-31)19-27(23-7-6-21-4-2-3-5-22(21)18-23)32(20)24-8-10-25(11-9-24)37(29,34)35/h2-11,18-19H,12-17H2,1H3,(H,30,33)(H2,29,34,35)
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22n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397388
PNG
(CHEMBL2170534)
Show SMILES Cc1cc(=O)c(cn1CC1CCOCC1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C23H32N2O3/c1-15-6-21(26)20(14-25(15)13-16-2-4-28-5-3-16)22(27)24-23-10-17-7-18(11-23)9-19(8-17)12-23/h6,14,16-19H,2-5,7-13H2,1H3,(H,24,27)
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24.1n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397389
PNG
(CHEMBL2170542)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1C
Show InChI InChI=1S/C18H28N2O2/c1-3-4-8-11-20-13-16(17(21)12-14(20)2)18(22)19-15-9-6-5-7-10-15/h12-13,15H,3-11H2,1-2H3,(H,19,22)
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24.4n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50081024
PNG
(CHEMBL3421700)
Show SMILES CCCCCn1cc2c(nn(CCC34CC5CC(CC(C5)C3)C4)c2=O)c2ccccc12 |TLB:20:15:22:19.21.18,20:19:22:14.15.16,THB:18:17:14:20.19.21,18:19:14:22.16.17|
Show InChI InChI=1S/C27H35N3O/c1-2-3-6-10-29-18-23-25(22-7-4-5-8-24(22)29)28-30(26(23)31)11-9-27-15-19-12-20(16-27)14-21(13-19)17-27/h4-5,7-8,18-21H,2-3,6,9-17H2,1H3
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26n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50081041
PNG
(CHEMBL3421688)
Show SMILES CCCCCn1cc2c(nn(-c3cccc(c3)C(F)(F)F)c2=O)c2ccccc12
Show InChI InChI=1S/C22H20F3N3O/c1-2-3-6-12-27-14-18-20(17-10-4-5-11-19(17)27)26-28(21(18)29)16-9-7-8-15(13-16)22(23,24)25/h4-5,7-11,13-14H,2-3,6,12H2,1H3
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29n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50329602
PNG
(CHEMBL1270531 | N-[2-(Pyrrolidinyl-1-ethyl)]-1-[4-...)
Show SMILES Cc1c(cc(-c2ccc3ccccc3c2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C28H30N4O3S/c1-20-26(28(33)30-14-17-31-15-4-5-16-31)19-27(23-9-8-21-6-2-3-7-22(21)18-23)32(20)24-10-12-25(13-11-24)36(29,34)35/h2-3,6-13,18-19H,4-5,14-17H2,1H3,(H,30,33)(H2,29,34,35)
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30n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397385
PNG
(CHEMBL2170529)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(-c2ccncc2)c1C |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C27H35N3O2/c1-3-4-5-10-30-17-23(25(31)24(18(30)2)22-6-8-28-9-7-22)26(32)29-27-14-19-11-20(15-27)13-21(12-19)16-27/h6-9,17,19-21H,3-5,10-16H2,1-2H3,(H,29,32)
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36.5n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397385
PNG
(CHEMBL2170529)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(-c2ccncc2)c1C |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C27H35N3O2/c1-3-4-5-10-30-17-23(25(31)24(18(30)2)22-6-8-28-9-7-22)26(32)29-27-14-19-11-20(15-27)13-21(12-19)16-27/h6-9,17,19-21H,3-5,10-16H2,1-2H3,(H,29,32)
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37n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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52n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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52.4n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397384
PNG
(CHEMBL2170528)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(c1C)-c1ccc(CC)cc1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C30H40N2O2/c1-4-6-7-12-32-19-26(28(33)27(20(32)3)25-10-8-21(5-2)9-11-25)29(34)31-30-16-22-13-23(17-30)15-24(14-22)18-30/h8-11,19,22-24H,4-7,12-18H2,1-3H3,(H,31,34)
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54.3n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50329599
PNG
(CHEMBL1270341 | N-[2-(Dimethylamino)ethyl]-1-[4-(a...)
Show SMILES CN(C)CCNC(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C26H28N4O3S/c1-18-24(26(31)28-14-15-29(2)3)17-25(21-9-8-19-6-4-5-7-20(19)16-21)30(18)22-10-12-23(13-11-22)34(27,32)33/h4-13,16-17H,14-15H2,1-3H3,(H,28,31)(H2,27,32,33)
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55n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50329587
PNG
(4-[2-Methyl-3-[(4-methylpiperazino)carbonyl]-5-(4-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc(-c2ccc(cc2)-c2ccccc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H30N4O3S/c1-21-27(29(34)32-18-16-31(2)17-19-32)20-28(33(21)25-12-14-26(15-13-25)37(30,35)36)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-15,20H,16-19H2,1-2H3,(H2,30,35,36)
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68n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50329606
PNG
(CHEMBL1270836 | N-(2-Morpholinoethyl)-1-[4-(aminos...)
Show SMILES Cc1c(cc(-c2ccc3ccccc3c2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C28H30N4O4S/c1-20-26(28(33)30-12-13-31-14-16-36-17-15-31)19-27(23-7-6-21-4-2-3-5-22(21)18-23)32(20)24-8-10-25(11-9-24)37(29,34)35/h2-11,18-19H,12-17H2,1H3,(H,30,33)(H2,29,34,35)
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70n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50329585
PNG
(CHEMBL1270939 | N3-[2-(Dimethylamino)ethyl]-1-[4-(...)
Show SMILES CN(C)CCNC(=O)c1cc(-c2ccc(cc2)-c2ccccc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C28H30N4O3S/c1-20-26(28(33)30-17-18-31(2)3)19-27(32(20)24-13-15-25(16-14-24)36(29,34)35)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h4-16,19H,17-18H2,1-3H3,(H,30,33)(H2,29,34,35)
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83n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50397393
PNG
(CHEMBL2170547)
Show SMILES CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)cc1C(C)(C)C
Show InChI InChI=1S/C21H28N2O2/c1-5-6-10-13-23-15-17(18(24)14-19(23)21(2,3)4)20(25)22-16-11-8-7-9-12-16/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3,(H,22,25)
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87.9n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50329597
PNG
(CHEMBL1270243 | N-(Piperidino-1-ethyl)-1-[4-(amino...)
Show SMILES Cc1c(cc(-c2ccccc2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C25H30N4O3S/c1-19-23(25(30)27-14-17-28-15-6-3-7-16-28)18-24(20-8-4-2-5-9-20)29(19)21-10-12-22(13-11-21)33(26,31)32/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H,27,30)(H2,26,31,32)
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89n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50329593
PNG
(CHEMBL1270032 | N3-(3-Morpholinopropyl)-1-[4-(amin...)
Show SMILES Cc1c(cc(-c2ccc(cc2)-c2ccccc2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C31H34N4O4S/c1-23-29(31(36)33-16-5-17-34-18-20-39-21-19-34)22-30(35(23)27-12-14-28(15-13-27)40(32,37)38)26-10-8-25(9-11-26)24-6-3-2-4-7-24/h2-4,6-15,22H,5,16-21H2,1H3,(H,33,36)(H2,32,37,38)
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101n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50397383
PNG
(CHEMBL2170526)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(C2CC2)c1C |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C25H36N2O2/c1-3-4-5-8-27-15-21(23(28)22(16(27)2)20-6-7-20)24(29)26-25-12-17-9-18(13-25)11-19(10-17)14-25/h15,17-20H,3-14H2,1-2H3,(H,26,29)
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105n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50329586
PNG
(CHEMBL1271040 | N3-[3-(Dimethylamino)propyl]-1-[4-...)
Show SMILES CN(C)CCCNC(=O)c1cc(-c2ccc(cc2)-c2ccccc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H32N4O3S/c1-21-27(29(34)31-18-7-19-32(2)3)20-28(33(21)25-14-16-26(17-15-25)37(30,35)36)24-12-10-23(11-13-24)22-8-5-4-6-9-22/h4-6,8-17,20H,7,18-19H2,1-3H3,(H,31,34)(H2,30,35,36)
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111n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50329603
PNG
(CHEMBL1270532 | N-(Piperidino-1-ethyl)-1-[4-(amino...)
Show SMILES Cc1c(cc(-c2ccc3ccccc3c2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C29H32N4O3S/c1-21-27(29(34)31-15-18-32-16-5-2-6-17-32)20-28(24-10-9-22-7-3-4-8-23(22)19-24)33(21)25-11-13-26(14-12-25)37(30,35)36/h3-4,7-14,19-20H,2,5-6,15-18H2,1H3,(H,31,34)(H2,30,35,36)
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125n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50329604
PNG
(CHEMBL1270632 | N-[2-(4-Methylpiperazino)ethyl]-1-...)
Show SMILES CN1CCN(CCNC(=O)c2cc(-c3ccc4ccccc4c3)n(c2C)-c2ccc(cc2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C29H33N5O3S/c1-21-27(29(35)31-13-14-33-17-15-32(2)16-18-33)20-28(24-8-7-22-5-3-4-6-23(22)19-24)34(21)25-9-11-26(12-10-25)38(30,36)37/h3-12,19-20H,13-18H2,1-2H3,(H,31,35)(H2,30,36,37)
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126n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50329595
PNG
(CHEMBL1270138 | N-(Dimethylaminopropyl)-1-[4-(amin...)
Show SMILES CN(C)CCCNC(=O)c1cc(-c2ccccc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H28N4O3S/c1-17-21(23(28)25-14-7-15-26(2)3)16-22(18-8-5-4-6-9-18)27(17)19-10-12-20(13-11-19)31(24,29)30/h4-6,8-13,16H,7,14-15H2,1-3H3,(H,25,28)(H2,24,29,30)
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127n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay


Bioorg Med Chem 18: 7392-401 (2010)


Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ
More data for this
Ligand-Target Pair
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