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Compile Data Set for Download or QSAR

Found 996 hits with Last Name = 'rahim' and Initial = 'm'   
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
Corticoliberin


(Homo sapiens)
BDBM50610720
PNG
(CHEMBL5286255)
Show SMILES CCCC(CCC)c1c(CC)nn2c(nc(C)nc12)-c1cc(OC)c(OC)cc1Cl
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0.700n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50228072
PNG
(1,9-dihydroxy-3-(1',1'-dimethylheptyl)-6H-benzo[c]...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(O)cc21
Show InChI InChI=1S/C22H26O4/c1-4-5-6-7-10-22(2,3)14-11-18(24)20-17-13-15(23)8-9-16(17)21(25)26-19(20)12-14/h8-9,11-13,23-24H,4-7,10H2,1-3H3
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0.820n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB2 receptor in mouse spleen membranes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061113
PNG
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3
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0.950n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB1 receptor in rat brain synaptosomes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Corticoliberin


(RAT)
BDBM50610716
PNG
(CHEMBL5279390)
Show SMILES CCCC(CCC)c1c(CC)nn2c(nc(C)nc12)-c1ccc(Cl)cc1Cl
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1n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50061113
PNG
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3
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1.10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB2 receptor in mouse spleen membranes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Corticoliberin


(RAT)
BDBM50610717
PNG
(CHEMBL5279909)
Show SMILES CCCC(COC)c1c(CC)nn2c(nc(C)nc12)-c1ccc(Cl)cc1Cl
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1.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084875
PNG
(8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl...)
Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(-3.04,-6.69,;-3.03,-8.23,;-4.37,-9,;-4.37,-10.54,;-3.03,-11.31,;-1.7,-10.54,;-1.7,-9.01,;-5.7,-11.31,;-5.7,-12.85,;-7.03,-13.63,;-7.03,-15.17,;-8.36,-15.94,;-5.7,-15.93,;-4.37,-15.17,;-2.91,-15.64,;-2,-14.4,;-.46,-14.4,;-2.91,-13.15,;-4.37,-13.63,;-2.18,-17.01,;-3.01,-18.3,;-2.29,-19.67,;-.75,-19.73,;-.03,-21.08,;.06,-18.41,;-.65,-17.05,;.16,-15.75,)|
Show InChI InChI=1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)
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1.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50569044
PNG
(CHEMBL4872457)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1cc2cc(Br)ccc2o1
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1.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Corticoliberin


(RAT)
BDBM50610718
PNG
(CHEMBL5290774)
Show SMILES CCCC(COC)c1c(CC)nn2c(nc(C)nc12)-c1cc(OC)c(OC)cc1Cl
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2n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50228075
PNG
(6,6-dimethyl-3-(1',1'-dimethylheptyl)-6H-benzo[c]c...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(O)cc-23)c1
Show InChI InChI=1S/C24H32O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h10-11,13-15,25-26H,6-9,12H2,1-5H3
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2.60n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB1 receptor in rat brain synaptosomes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Corticoliberin


(RAT)
BDBM50610719
PNG
(CHEMBL5291384)
Show SMILES CCCC(C)c1c(CC)nn2c(nc(C)nc12)-c1cc(OC)c(OC)cc1Cl
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2.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50061116
PNG
(3-(1',1'-dimethylheptyl)-1-hydroxy-9-methyl-6H-ben...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(C)cc21
Show InChI InChI=1S/C23H28O3/c1-5-6-7-8-11-23(3,4)16-13-19(24)21-18-12-15(2)9-10-17(18)22(25)26-20(21)14-16/h9-10,12-14,24H,5-8,11H2,1-4H3
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3.10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB2 receptor in mouse spleen membranes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50228075
PNG
(6,6-dimethyl-3-(1',1'-dimethylheptyl)-6H-benzo[c]c...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(O)cc-23)c1
Show InChI InChI=1S/C24H32O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h10-11,13-15,25-26H,6-9,12H2,1-5H3
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4.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB2 receptor in mouse spleen membranes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50569035
PNG
(CHEMBL4867387)
Show SMILES Cc1c(NC(=O)NCCc2ccc(cc2)S(N)(=O)=O)oc2ccccc12
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4.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50228074
PNG
(6,6-dimethyl-3-(1',1'-dimethylheptyl)-9-methoxy-6H...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(OC)cc-23)c1
Show InChI InChI=1S/C25H34O3/c1-7-8-9-10-13-24(2,3)17-14-21(26)23-19-16-18(27-6)11-12-20(19)25(4,5)28-22(23)15-17/h11-12,14-16,26H,7-10,13H2,1-6H3
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5.40n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB1 receptor in rat brain synaptosomes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50569040
PNG
(CHEMBL4873532)
Show SMILES Cc1ccc(NC(=O)Nc2cc3cc(Br)ccc3o2)cc1S(N)(=O)=O
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5.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(MOUSE)
BDBM50228074
PNG
(6,6-dimethyl-3-(1',1'-dimethylheptyl)-9-methoxy-6H...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(OC)cc-23)c1
Show InChI InChI=1S/C25H34O3/c1-7-8-9-10-13-24(2,3)17-14-21(26)23-19-16-18(27-6)11-12-20(19)25(4,5)28-22(23)15-17/h11-12,14-16,26H,7-10,13H2,1-6H3
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5.90n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB2 receptor in mouse spleen membranes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50228073
PNG
(3-(1',1'-dimethylheptyl)-1-hydroxy-9-methoxy-6H-be...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(OC)cc21
Show InChI InChI=1S/C23H28O4/c1-5-6-7-8-11-23(2,3)15-12-19(24)21-18-14-16(26-4)9-10-17(18)22(25)27-20(21)13-15/h9-10,12-14,24H,5-8,11H2,1-4H3
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6.70n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB2 receptor in mouse spleen membranes


J Med Chem 50: 6493-500 (2007)


Article DOI: 10.1021/jm070441u
BindingDB Entry DOI: 10.7270/Q2736QN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50569041
PNG
(CHEMBL4864064)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc3cc(Br)ccc3o2)cc1
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7.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50569035
PNG
(CHEMBL4867387)
Show SMILES Cc1c(NC(=O)NCCc2ccc(cc2)S(N)(=O)=O)oc2ccccc12
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7.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50569044
PNG
(CHEMBL4872457)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1cc2cc(Br)ccc2o1
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8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50569039
PNG
(CHEMBL4860334)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2cc3cc(Br)ccc3o2)c1
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8.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50569030
PNG
(CHEMBL4854110)
Show SMILES Cc1c(NC(=O)Nc2ccc(C)c(c2)S(N)(=O)=O)oc2ccccc12
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8.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50569036
PNG
(CHEMBL4870817)
Show SMILES Cc1c(NC(=O)NNC(=O)c2ccc(cc2)S(N)(=O)=O)oc2ccccc12
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9.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50569045
PNG
(CHEMBL4849803)
Show SMILES Cc1ccc(cc1)S(=O)(=O)C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2cc(Br)ccc2o1
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50569031
PNG
(CHEMBL4862734)
Show SMILES Cc1c(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)oc2ccccc12
PDB
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50569036
PNG
(CHEMBL4870817)
Show SMILES Cc1c(NC(=O)NNC(=O)c2ccc(cc2)S(N)(=O)=O)oc2ccccc12
PDB
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50569031
PNG
(CHEMBL4862734)
Show SMILES Cc1c(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)oc2ccccc12
PDB
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50569035
PNG
(CHEMBL4867387)
Show SMILES Cc1c(NC(=O)NCCc2ccc(cc2)S(N)(=O)=O)oc2ccccc12
PDB
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50569038
PNG
(CHEMBL4855981)
Show SMILES NS(=O)(=O)c1cc(c(NC(=O)Nc2cc3cc(Br)ccc3o2)cc1Cl)S(N)(=O)=O
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50569029
PNG
(CHEMBL4874468)
Show SMILES Cc1c(NC(=O)Nc2cccc(c2)S(N)(=O)=O)oc2ccccc12
PDB
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50569041
PNG
(CHEMBL4864064)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc3cc(Br)ccc3o2)cc1
PDB
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18n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50569041
PNG
(CHEMBL4864064)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc3cc(Br)ccc3o2)cc1
PDB
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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50569039
PNG
(CHEMBL4860334)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2cc3cc(Br)ccc3o2)c1
PDB
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50569038
PNG
(CHEMBL4855981)
Show SMILES NS(=O)(=O)c1cc(c(NC(=O)Nc2cc3cc(Br)ccc3o2)cc1Cl)S(N)(=O)=O
PDB
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23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50569034
PNG
(CHEMBL4850453)
Show SMILES Cc1c(NC(=O)Oc2ccc(cc2)S(N)(=O)=O)oc2ccccc12
PDB
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23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50569028
PNG
(CHEMBL4867725)
Show SMILES Cc1c(NC(=O)Nc2cc(Cl)c(cc2S(N)(=O)=O)S(N)(=O)=O)oc2ccccc12
PDB
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24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50569027
PNG
(CHEMBL4848171)
Show SMILES Cc1c(NC(=O)Nc2ccccc2S(N)(=O)=O)oc2ccccc12
PDB
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24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50569044
PNG
(CHEMBL4872457)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1cc2cc(Br)ccc2o1
PDB
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24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50569029
PNG
(CHEMBL4874468)
Show SMILES Cc1c(NC(=O)Nc2cccc(c2)S(N)(=O)=O)oc2ccccc12
PDB
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50569035
PNG
(CHEMBL4867387)
Show SMILES Cc1c(NC(=O)NCCc2ccc(cc2)S(N)(=O)=O)oc2ccccc12
PDB
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28n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50569027
PNG
(CHEMBL4848171)
Show SMILES Cc1c(NC(=O)Nc2ccccc2S(N)(=O)=O)oc2ccccc12
PDB
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28n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50569036
PNG
(CHEMBL4870817)
Show SMILES Cc1c(NC(=O)NNC(=O)c2ccc(cc2)S(N)(=O)=O)oc2ccccc12
PDB
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28n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50569046
PNG
(CHEMBL4856055)
Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2cc(Br)ccc2o1
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28n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50569040
PNG
(CHEMBL4873532)
Show SMILES Cc1ccc(NC(=O)Nc2cc3cc(Br)ccc3o2)cc1S(N)(=O)=O
PDB
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31n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50569037
PNG
(CHEMBL4860144)
Show SMILES NS(=O)(=O)c1ccccc1NC(=O)Nc1cc2cc(Br)ccc2o1
PDB
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32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50569031
PNG
(CHEMBL4862734)
Show SMILES Cc1c(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)oc2ccccc12
PDB
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32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped- flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113283
BindingDB Entry DOI: 10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
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