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PubMed code 27144971

Compile data set for download or QSAR
Found 60 hits of Enzyme Inhibition Constant Data   
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
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50185304
PNG
(SULFASUCCINAMIDE | Sulfasuccinamide)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
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0.520n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50185295
PNG
(CHEMBL3822883)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1
Show InChI InChI=1S/C116H210N12O57S6/c117-188(133,134)115-125-123-113(186-115)127-190(137,138)107-5-1-105(2-6-107)121-111(131)11-9-109(129)119-13-15-141-17-19-143-21-23-145-25-27-147-29-31-149-33-35-151-37-39-153-41-43-155-45-47-157-49-51-159-53-55-161-57-59-163-61-63-165-65-67-167-69-71-169-73-75-171-77-79-173-81-83-175-85-87-177-89-91-179-93-95-181-97-99-183-101-103-185-104-102-184-100-98-182-96-94-180-92-90-178-88-86-176-84-82-174-80-78-172-76-74-170-72-70-168-68-66-166-64-62-164-60-58-162-56-54-160-52-50-158-48-46-156-44-42-154-40-38-152-36-34-150-32-30-148-28-26-146-24-22-144-20-18-142-16-14-120-110(130)10-12-112(132)122-106-3-7-108(8-4-106)191(139,140)128-114-124-126-116(187-114)189(118,135)136/h1-8H,9-104H2,(H,119,129)(H,120,130)(H,121,131)(H,122,132)(H,123,127)(H,124,128)(H2,117,133,134)(H2,118,135,136)
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1.70n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50185297
PNG
(CHEMBL3822655)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C104H200N10O53S4/c105-170(119,120)103-113-111-101(168-103)109-99(117)3-1-97(115)107-5-7-123-9-11-125-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-126-12-10-124-8-6-108-98(116)2-4-100(118)110-102-112-114-104(169-102)171(106,121)122/h1-96H2,(H,107,115)(H,108,116)(H2,105,119,120)(H2,106,121,122)(H,109,111,117)(H,110,112,118)
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2.5n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50185301
PNG
(CHEMBL3824097)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C26H36N6O10S2/c27-43(37,38)21-5-1-19(2-6-21)31-25(35)11-9-23(33)29-13-15-41-17-18-42-16-14-30-24(34)10-12-26(36)32-20-3-7-22(8-4-20)44(28,39)40/h1-8H,9-18H2,(H,29,33)(H,30,34)(H,31,35)(H,32,36)(H2,27,37,38)(H2,28,39,40)
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2.60n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50185303
PNG
(CHEMBL88115)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(O)=O)s1
Show InChI InChI=1S/C6H8N4O5S2/c7-17(14,15)6-10-9-5(16-6)8-3(11)1-2-4(12)13/h1-2H2,(H,12,13)(H2,7,14,15)(H,8,9,11)
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2.70n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50185299
PNG
(CHEMBL3823200)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1
Show InChI InChI=1S/C30H38N12O14S6/c31-59(47,48)29-39-37-27(57-29)41-61(51,52)21-5-1-19(2-6-21)35-25(45)11-9-23(43)33-13-15-55-17-18-56-16-14-34-24(44)10-12-26(46)36-20-3-7-22(8-4-20)62(53,54)42-28-38-40-30(58-28)60(32,49)50/h1-8H,9-18H2,(H,33,43)(H,34,44)(H,35,45)(H,36,46)(H,37,41)(H,38,42)(H2,31,47,48)(H2,32,49,50)
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2.80n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50185301
PNG
(CHEMBL3824097)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C26H36N6O10S2/c27-43(37,38)21-5-1-19(2-6-21)31-25(35)11-9-23(33)29-13-15-41-17-18-42-16-14-30-24(34)10-12-26(36)32-20-3-7-22(8-4-20)44(28,39)40/h1-8H,9-18H2,(H,29,33)(H,30,34)(H,31,35)(H,32,36)(H2,27,37,38)(H2,28,39,40)
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2.90n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50185302
PNG
(CHEMBL3823618)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(O)=O)cc2)s1
Show InChI InChI=1S/C12H13N5O7S3/c13-26(21,22)12-16-15-11(25-12)17-27(23,24)8-3-1-7(2-4-8)14-9(18)5-6-10(19)20/h1-4H,5-6H2,(H,14,18)(H,15,17)(H,19,20)(H2,13,21,22)
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3n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50185303
PNG
(CHEMBL88115)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(O)=O)s1
Show InChI InChI=1S/C6H8N4O5S2/c7-17(14,15)6-10-9-5(16-6)8-3(11)1-2-4(12)13/h1-2H2,(H,12,13)(H2,7,14,15)(H,8,9,11)
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3.20n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50185298
PNG
(CHEMBL3823514)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C112H208N6O53S2/c113-172(123,124)107-5-1-105(2-6-107)117-111(121)11-9-109(119)115-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-97-99-169-101-103-171-104-102-170-100-98-168-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-116-110(120)10-12-112(122)118-106-3-7-108(8-4-106)173(114,125)126/h1-8H,9-104H2,(H,115,119)(H,116,120)(H,117,121)(H,118,122)(H2,113,123,124)(H2,114,125,126)
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3.20n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50185295
PNG
(CHEMBL3822883)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1
Show InChI InChI=1S/C116H210N12O57S6/c117-188(133,134)115-125-123-113(186-115)127-190(137,138)107-5-1-105(2-6-107)121-111(131)11-9-109(129)119-13-15-141-17-19-143-21-23-145-25-27-147-29-31-149-33-35-151-37-39-153-41-43-155-45-47-157-49-51-159-53-55-161-57-59-163-61-63-165-65-67-167-69-71-169-73-75-171-77-79-173-81-83-175-85-87-177-89-91-179-93-95-181-97-99-183-101-103-185-104-102-184-100-98-182-96-94-180-92-90-178-88-86-176-84-82-174-80-78-172-76-74-170-72-70-168-68-66-166-64-62-164-60-58-162-56-54-160-52-50-158-48-46-156-44-42-154-40-38-152-36-34-150-32-30-148-28-26-146-24-22-144-20-18-142-16-14-120-110(130)10-12-112(132)122-106-3-7-108(8-4-106)191(139,140)128-114-124-126-116(187-114)189(118,135)136/h1-8H,9-104H2,(H,119,129)(H,120,130)(H,121,131)(H,122,132)(H,123,127)(H,124,128)(H2,117,133,134)(H2,118,135,136)
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3.70n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50185302
PNG
(CHEMBL3823618)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(O)=O)cc2)s1
Show InChI InChI=1S/C12H13N5O7S3/c13-26(21,22)12-16-15-11(25-12)17-27(23,24)8-3-1-7(2-4-8)14-9(18)5-6-10(19)20/h1-4H,5-6H2,(H,14,18)(H,15,17)(H,19,20)(H2,13,21,22)
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3.90n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50185303
PNG
(CHEMBL88115)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(O)=O)s1
Show InChI InChI=1S/C6H8N4O5S2/c7-17(14,15)6-10-9-5(16-6)8-3(11)1-2-4(12)13/h1-2H2,(H,12,13)(H2,7,14,15)(H,8,9,11)
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4n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50185295
PNG
(CHEMBL3822883)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1
Show InChI InChI=1S/C116H210N12O57S6/c117-188(133,134)115-125-123-113(186-115)127-190(137,138)107-5-1-105(2-6-107)121-111(131)11-9-109(129)119-13-15-141-17-19-143-21-23-145-25-27-147-29-31-149-33-35-151-37-39-153-41-43-155-45-47-157-49-51-159-53-55-161-57-59-163-61-63-165-65-67-167-69-71-169-73-75-171-77-79-173-81-83-175-85-87-177-89-91-179-93-95-181-97-99-183-101-103-185-104-102-184-100-98-182-96-94-180-92-90-178-88-86-176-84-82-174-80-78-172-76-74-170-72-70-168-68-66-166-64-62-164-60-58-162-56-54-160-52-50-158-48-46-156-44-42-154-40-38-152-36-34-150-32-30-148-28-26-146-24-22-144-20-18-142-16-14-120-110(130)10-12-112(132)122-106-3-7-108(8-4-106)191(139,140)128-114-124-126-116(187-114)189(118,135)136/h1-8H,9-104H2,(H,119,129)(H,120,130)(H,121,131)(H,122,132)(H,123,127)(H,124,128)(H2,117,133,134)(H2,118,135,136)
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4.40n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50185302
PNG
(CHEMBL3823618)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(O)=O)cc2)s1
Show InChI InChI=1S/C12H13N5O7S3/c13-26(21,22)12-16-15-11(25-12)17-27(23,24)8-3-1-7(2-4-8)14-9(18)5-6-10(19)20/h1-4H,5-6H2,(H,14,18)(H,15,17)(H,19,20)(H2,13,21,22)
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4.40n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50185295
PNG
(CHEMBL3822883)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1
Show InChI InChI=1S/C116H210N12O57S6/c117-188(133,134)115-125-123-113(186-115)127-190(137,138)107-5-1-105(2-6-107)121-111(131)11-9-109(129)119-13-15-141-17-19-143-21-23-145-25-27-147-29-31-149-33-35-151-37-39-153-41-43-155-45-47-157-49-51-159-53-55-161-57-59-163-61-63-165-65-67-167-69-71-169-73-75-171-77-79-173-81-83-175-85-87-177-89-91-179-93-95-181-97-99-183-101-103-185-104-102-184-100-98-182-96-94-180-92-90-178-88-86-176-84-82-174-80-78-172-76-74-170-72-70-168-68-66-166-64-62-164-60-58-162-56-54-160-52-50-158-48-46-156-44-42-154-40-38-152-36-34-150-32-30-148-28-26-146-24-22-144-20-18-142-16-14-120-110(130)10-12-112(132)122-106-3-7-108(8-4-106)191(139,140)128-114-124-126-116(187-114)189(118,135)136/h1-8H,9-104H2,(H,119,129)(H,120,130)(H,121,131)(H,122,132)(H,123,127)(H,124,128)(H2,117,133,134)(H2,118,135,136)
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4.40n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50185299
PNG
(CHEMBL3823200)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1
Show InChI InChI=1S/C30H38N12O14S6/c31-59(47,48)29-39-37-27(57-29)41-61(51,52)21-5-1-19(2-6-21)35-25(45)11-9-23(43)33-13-15-55-17-18-56-16-14-34-24(44)10-12-26(46)36-20-3-7-22(8-4-20)62(53,54)42-28-38-40-30(58-28)60(32,49)50/h1-8H,9-18H2,(H,33,43)(H,34,44)(H,35,45)(H,36,46)(H,37,41)(H,38,42)(H2,31,47,48)(H2,32,49,50)
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4.60n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50185300
PNG
(CHEMBL3822486)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C18H28N10O10S4/c19-41(33,34)17-27-25-15(39-17)23-13(31)3-1-11(29)21-5-7-37-9-10-38-8-6-22-12(30)2-4-14(32)24-16-26-28-18(40-16)42(20,35)36/h1-10H2,(H,21,29)(H,22,30)(H2,19,33,34)(H2,20,35,36)(H,23,25,31)(H,24,26,32)
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4.60n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50185298
PNG
(CHEMBL3823514)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C112H208N6O53S2/c113-172(123,124)107-5-1-105(2-6-107)117-111(121)11-9-109(119)115-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-97-99-169-101-103-171-104-102-170-100-98-168-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-116-110(120)10-12-112(122)118-106-3-7-108(8-4-106)173(114,125)126/h1-8H,9-104H2,(H,115,119)(H,116,120)(H,117,121)(H,118,122)(H2,113,123,124)(H2,114,125,126)
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4.80n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50185300
PNG
(CHEMBL3822486)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C18H28N10O10S4/c19-41(33,34)17-27-25-15(39-17)23-13(31)3-1-11(29)21-5-7-37-9-10-38-8-6-22-12(30)2-4-14(32)24-16-26-28-18(40-16)42(20,35)36/h1-10H2,(H,21,29)(H,22,30)(H2,19,33,34)(H2,20,35,36)(H,23,25,31)(H,24,26,32)
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5n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50185297
PNG
(CHEMBL3822655)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C104H200N10O53S4/c105-170(119,120)103-113-111-101(168-103)109-99(117)3-1-97(115)107-5-7-123-9-11-125-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-126-12-10-124-8-6-108-98(116)2-4-100(118)110-102-112-114-104(169-102)171(106,121)122/h1-96H2,(H,107,115)(H,108,116)(H2,105,119,120)(H2,106,121,122)(H,109,111,117)(H,110,112,118)
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5.40n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50185302
PNG
(CHEMBL3823618)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(O)=O)cc2)s1
Show InChI InChI=1S/C12H13N5O7S3/c13-26(21,22)12-16-15-11(25-12)17-27(23,24)8-3-1-7(2-4-8)14-9(18)5-6-10(19)20/h1-4H,5-6H2,(H,14,18)(H,15,17)(H,19,20)(H2,13,21,22)
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5.5n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

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



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50185297
PNG
(CHEMBL3822655)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C104H200N10O53S4/c105-170(119,120)103-113-111-101(168-103)109-99(117)3-1-97(115)107-5-7-123-9-11-125-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-126-12-10-124-8-6-108-98(116)2-4-100(118)110-102-112-114-104(169-102)171(106,121)122/h1-96H2,(H,107,115)(H,108,116)(H2,105,119,120)(H2,106,121,122)(H,109,111,117)(H,110,112,118)
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5.80n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50185300
PNG
(CHEMBL3822486)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C18H28N10O10S4/c19-41(33,34)17-27-25-15(39-17)23-13(31)3-1-11(29)21-5-7-37-9-10-38-8-6-22-12(30)2-4-14(32)24-16-26-28-18(40-16)42(20,35)36/h1-10H2,(H,21,29)(H,22,30)(H2,19,33,34)(H2,20,35,36)(H,23,25,31)(H,24,26,32)
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5.90n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50185304
PNG
(SULFASUCCINAMIDE | Sulfasuccinamide)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
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6.10n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50185301
PNG
(CHEMBL3824097)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C26H36N6O10S2/c27-43(37,38)21-5-1-19(2-6-21)31-25(35)11-9-23(33)29-13-15-41-17-18-42-16-14-30-24(34)10-12-26(36)32-20-3-7-22(8-4-20)44(28,39)40/h1-8H,9-18H2,(H,29,33)(H,30,34)(H,31,35)(H,32,36)(H2,27,37,38)(H2,28,39,40)
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6.20n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50185299
PNG
(CHEMBL3823200)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1
Show InChI InChI=1S/C30H38N12O14S6/c31-59(47,48)29-39-37-27(57-29)41-61(51,52)21-5-1-19(2-6-21)35-25(45)11-9-23(43)33-13-15-55-17-18-56-16-14-34-24(44)10-12-26(46)36-20-3-7-22(8-4-20)62(53,54)42-28-38-40-30(58-28)60(32,49)50/h1-8H,9-18H2,(H,33,43)(H,34,44)(H,35,45)(H,36,46)(H,37,41)(H,38,42)(H2,31,47,48)(H2,32,49,50)
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6.40n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50185303
PNG
(CHEMBL88115)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(O)=O)s1
Show InChI InChI=1S/C6H8N4O5S2/c7-17(14,15)6-10-9-5(16-6)8-3(11)1-2-4(12)13/h1-2H2,(H,12,13)(H2,7,14,15)(H,8,9,11)
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6.70n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50185297
PNG
(CHEMBL3822655)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C104H200N10O53S4/c105-170(119,120)103-113-111-101(168-103)109-99(117)3-1-97(115)107-5-7-123-9-11-125-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-126-12-10-124-8-6-108-98(116)2-4-100(118)110-102-112-114-104(169-102)171(106,121)122/h1-96H2,(H,107,115)(H,108,116)(H2,105,119,120)(H2,106,121,122)(H,109,111,117)(H,110,112,118)
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6.80n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50185298
PNG
(CHEMBL3823514)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C112H208N6O53S2/c113-172(123,124)107-5-1-105(2-6-107)117-111(121)11-9-109(119)115-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-97-99-169-101-103-171-104-102-170-100-98-168-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-116-110(120)10-12-112(122)118-106-3-7-108(8-4-106)173(114,125)126/h1-8H,9-104H2,(H,115,119)(H,116,120)(H,117,121)(H,118,122)(H2,113,123,124)(H2,114,125,126)
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7.30n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50185301
PNG
(CHEMBL3824097)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C26H36N6O10S2/c27-43(37,38)21-5-1-19(2-6-21)31-25(35)11-9-23(33)29-13-15-41-17-18-42-16-14-30-24(34)10-12-26(36)32-20-3-7-22(8-4-20)44(28,39)40/h1-8H,9-18H2,(H,29,33)(H,30,34)(H,31,35)(H,32,36)(H2,27,37,38)(H2,28,39,40)
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7.80n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50185303
PNG
(CHEMBL88115)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(O)=O)s1
Show InChI InChI=1S/C6H8N4O5S2/c7-17(14,15)6-10-9-5(16-6)8-3(11)1-2-4(12)13/h1-2H2,(H,12,13)(H2,7,14,15)(H,8,9,11)
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8.10n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50185299
PNG
(CHEMBL3823200)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1
Show InChI InChI=1S/C30H38N12O14S6/c31-59(47,48)29-39-37-27(57-29)41-61(51,52)21-5-1-19(2-6-21)35-25(45)11-9-23(43)33-13-15-55-17-18-56-16-14-34-24(44)10-12-26(46)36-20-3-7-22(8-4-20)62(53,54)42-28-38-40-30(58-28)60(32,49)50/h1-8H,9-18H2,(H,33,43)(H,34,44)(H,35,45)(H,36,46)(H,37,41)(H,38,42)(H2,31,47,48)(H2,32,49,50)
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8.60n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50185300
PNG
(CHEMBL3822486)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C18H28N10O10S4/c19-41(33,34)17-27-25-15(39-17)23-13(31)3-1-11(29)21-5-7-37-9-10-38-8-6-22-12(30)2-4-14(32)24-16-26-28-18(40-16)42(20,35)36/h1-10H2,(H,21,29)(H,22,30)(H2,19,33,34)(H2,20,35,36)(H,23,25,31)(H,24,26,32)
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8.70n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50185302
PNG
(CHEMBL3823618)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(O)=O)cc2)s1
Show InChI InChI=1S/C12H13N5O7S3/c13-26(21,22)12-16-15-11(25-12)17-27(23,24)8-3-1-7(2-4-8)14-9(18)5-6-10(19)20/h1-4H,5-6H2,(H,14,18)(H,15,17)(H,19,20)(H2,13,21,22)
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9.30n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50185298
PNG
(CHEMBL3823514)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C112H208N6O53S2/c113-172(123,124)107-5-1-105(2-6-107)117-111(121)11-9-109(119)115-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-97-99-169-101-103-171-104-102-170-100-98-168-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-116-110(120)10-12-112(122)118-106-3-7-108(8-4-106)173(114,125)126/h1-8H,9-104H2,(H,115,119)(H,116,120)(H,117,121)(H,118,122)(H2,113,123,124)(H2,114,125,126)
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9.5n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50185300
PNG
(CHEMBL3822486)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C18H28N10O10S4/c19-41(33,34)17-27-25-15(39-17)23-13(31)3-1-11(29)21-5-7-37-9-10-38-8-6-22-12(30)2-4-14(32)24-16-26-28-18(40-16)42(20,35)36/h1-10H2,(H,21,29)(H,22,30)(H2,19,33,34)(H2,20,35,36)(H,23,25,31)(H,24,26,32)
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9.60n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

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



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50185304
PNG
(SULFASUCCINAMIDE | Sulfasuccinamide)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
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13n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50185295
PNG
(CHEMBL3822883)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1
Show InChI InChI=1S/C116H210N12O57S6/c117-188(133,134)115-125-123-113(186-115)127-190(137,138)107-5-1-105(2-6-107)121-111(131)11-9-109(129)119-13-15-141-17-19-143-21-23-145-25-27-147-29-31-149-33-35-151-37-39-153-41-43-155-45-47-157-49-51-159-53-55-161-57-59-163-61-63-165-65-67-167-69-71-169-73-75-171-77-79-173-81-83-175-85-87-177-89-91-179-93-95-181-97-99-183-101-103-185-104-102-184-100-98-182-96-94-180-92-90-178-88-86-176-84-82-174-80-78-172-76-74-170-72-70-168-68-66-166-64-62-164-60-58-162-56-54-160-52-50-158-48-46-156-44-42-154-40-38-152-36-34-150-32-30-148-28-26-146-24-22-144-20-18-142-16-14-120-110(130)10-12-112(132)122-106-3-7-108(8-4-106)191(139,140)128-114-124-126-116(187-114)189(118,135)136/h1-8H,9-104H2,(H,119,129)(H,120,130)(H,121,131)(H,122,132)(H,123,127)(H,124,128)(H2,117,133,134)(H2,118,135,136)
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13n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50185304
PNG
(SULFASUCCINAMIDE | Sulfasuccinamide)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
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18n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50185299
PNG
(CHEMBL3823200)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1
Show InChI InChI=1S/C30H38N12O14S6/c31-59(47,48)29-39-37-27(57-29)41-61(51,52)21-5-1-19(2-6-21)35-25(45)11-9-23(43)33-13-15-55-17-18-56-16-14-34-24(44)10-12-26(46)36-20-3-7-22(8-4-20)62(53,54)42-28-38-40-30(58-28)60(32,49)50/h1-8H,9-18H2,(H,33,43)(H,34,44)(H,35,45)(H,36,46)(H,37,41)(H,38,42)(H2,31,47,48)(H2,32,49,50)
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24n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

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



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50185301
PNG
(CHEMBL3824097)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C26H36N6O10S2/c27-43(37,38)21-5-1-19(2-6-21)31-25(35)11-9-23(33)29-13-15-41-17-18-42-16-14-30-24(34)10-12-26(36)32-20-3-7-22(8-4-20)44(28,39)40/h1-8H,9-18H2,(H,29,33)(H,30,34)(H,31,35)(H,32,36)(H2,27,37,38)(H2,28,39,40)
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37n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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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41n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50185297
PNG
(CHEMBL3822655)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C104H200N10O53S4/c105-170(119,120)103-113-111-101(168-103)109-99(117)3-1-97(115)107-5-7-123-9-11-125-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-126-12-10-124-8-6-108-98(116)2-4-100(118)110-102-112-114-104(169-102)171(106,121)122/h1-96H2,(H,107,115)(H,108,116)(H2,105,119,120)(H2,106,121,122)(H,109,111,117)(H,110,112,118)
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67n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(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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74n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50185300
PNG
(CHEMBL3822486)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C18H28N10O10S4/c19-41(33,34)17-27-25-15(39-17)23-13(31)3-1-11(29)21-5-7-37-9-10-38-8-6-22-12(30)2-4-14(32)24-16-26-28-18(40-16)42(20,35)36/h1-10H2,(H,21,29)(H,22,30)(H2,19,33,34)(H2,20,35,36)(H,23,25,31)(H,24,26,32)
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180n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50185295
PNG
(CHEMBL3822883)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1
Show InChI InChI=1S/C116H210N12O57S6/c117-188(133,134)115-125-123-113(186-115)127-190(137,138)107-5-1-105(2-6-107)121-111(131)11-9-109(129)119-13-15-141-17-19-143-21-23-145-25-27-147-29-31-149-33-35-151-37-39-153-41-43-155-45-47-157-49-51-159-53-55-161-57-59-163-61-63-165-65-67-167-69-71-169-73-75-171-77-79-173-81-83-175-85-87-177-89-91-179-93-95-181-97-99-183-101-103-185-104-102-184-100-98-182-96-94-180-92-90-178-88-86-176-84-82-174-80-78-172-76-74-170-72-70-168-68-66-166-64-62-164-60-58-162-56-54-160-52-50-158-48-46-156-44-42-154-40-38-152-36-34-150-32-30-148-28-26-146-24-22-144-20-18-142-16-14-120-110(130)10-12-112(132)122-106-3-7-108(8-4-106)191(139,140)128-114-124-126-116(187-114)189(118,135)136/h1-8H,9-104H2,(H,119,129)(H,120,130)(H,121,131)(H,122,132)(H,123,127)(H,124,128)(H2,117,133,134)(H2,118,135,136)
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181n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50185302
PNG
(CHEMBL3823618)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(O)=O)cc2)s1
Show InChI InChI=1S/C12H13N5O7S3/c13-26(21,22)12-16-15-11(25-12)17-27(23,24)8-3-1-7(2-4-8)14-9(18)5-6-10(19)20/h1-4H,5-6H2,(H,14,18)(H,15,17)(H,19,20)(H2,13,21,22)
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181n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50185299
PNG
(CHEMBL3823200)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1
Show InChI InChI=1S/C30H38N12O14S6/c31-59(47,48)29-39-37-27(57-29)41-61(51,52)21-5-1-19(2-6-21)35-25(45)11-9-23(43)33-13-15-55-17-18-56-16-14-34-24(44)10-12-26(46)36-20-3-7-22(8-4-20)62(53,54)42-28-38-40-30(58-28)60(32,49)50/h1-8H,9-18H2,(H,33,43)(H,34,44)(H,35,45)(H,36,46)(H,37,41)(H,38,42)(H2,31,47,48)(H2,32,49,50)
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192n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50185301
PNG
(CHEMBL3824097)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C26H36N6O10S2/c27-43(37,38)21-5-1-19(2-6-21)31-25(35)11-9-23(33)29-13-15-41-17-18-42-16-14-30-24(34)10-12-26(36)32-20-3-7-22(8-4-20)44(28,39)40/h1-8H,9-18H2,(H,29,33)(H,30,34)(H,31,35)(H,32,36)(H2,27,37,38)(H2,28,39,40)
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221n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50185297
PNG
(CHEMBL3822655)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C104H200N10O53S4/c105-170(119,120)103-113-111-101(168-103)109-99(117)3-1-97(115)107-5-7-123-9-11-125-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-126-12-10-124-8-6-108-98(116)2-4-100(118)110-102-112-114-104(169-102)171(106,121)122/h1-96H2,(H,107,115)(H,108,116)(H2,105,119,120)(H2,106,121,122)(H,109,111,117)(H,110,112,118)
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225n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50185303
PNG
(CHEMBL88115)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(O)=O)s1
Show InChI InChI=1S/C6H8N4O5S2/c7-17(14,15)6-10-9-5(16-6)8-3(11)1-2-4(12)13/h1-2H2,(H,12,13)(H2,7,14,15)(H,8,9,11)
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245n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50185304
PNG
(SULFASUCCINAMIDE | Sulfasuccinamide)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
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249n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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250n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50185298
PNG
(CHEMBL3823514)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C112H208N6O53S2/c113-172(123,124)107-5-1-105(2-6-107)117-111(121)11-9-109(119)115-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-97-99-169-101-103-171-104-102-170-100-98-168-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-116-110(120)10-12-112(122)118-106-3-7-108(8-4-106)173(114,125)126/h1-8H,9-104H2,(H,115,119)(H,116,120)(H,117,121)(H,118,122)(H2,113,123,124)(H2,114,125,126)
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272n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50185304
PNG
(SULFASUCCINAMIDE | Sulfasuccinamide)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
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486n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50185298
PNG
(CHEMBL3823514)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C112H208N6O53S2/c113-172(123,124)107-5-1-105(2-6-107)117-111(121)11-9-109(119)115-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-97-99-169-101-103-171-104-102-170-100-98-168-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-116-110(120)10-12-112(122)118-106-3-7-108(8-4-106)173(114,125)126/h1-8H,9-104H2,(H,115,119)(H,116,120)(H,117,121)(H,118,122)(H2,113,123,124)(H2,114,125,126)
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UniChem
PubMed
1.76E+3n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%