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Compile Data Set for Download or QSAR

Found 795 hits of ki data for polymerid = 1247   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230195
PNG
(CHEMBL4100903)
PDB
MMDB

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0.440n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50209283
PNG
(CHEMBL3885230)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H](N(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(OC)c(OC)c1
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0.530n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50209288
PNG
(CHEMBL3885451)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1ccccc1
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0.640n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50209225
PNG
(CHEMBL3883807)
Show SMILES COc1cc(OC)c([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1
PDB
MMDB

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0.650n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230205
PNG
(CHEMBL4088636)
PDB
MMDB

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0.730n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230197
PNG
(CHEMBL4060402)
PDB
MMDB

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0.790n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230196
PNG
(CHEMBL4096350)
PDB
MMDB

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0.810n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50209282
PNG
(CHEMBL3883491)
Show SMILES COc1cc(OC)c(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1ccccc1
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0.950n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50209290
PNG
(CHEMBL3883755)
Show SMILES COc1cc(OC)c([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c(OC)c1
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1.80n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230204
PNG
(CHEMBL4079507)
PDB
MMDB

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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
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50209285
PNG
(CHEMBL3884696)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1
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3.70n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50097303
PNG
(CHEMBL346691 | {{2-[Carboxymethyl-(2-{carboxymethy...)
Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)OCCOc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc2s1
Show InChI InChI=1S/C32H39N7O16S4/c33-58(48,49)31-35-22-3-1-20(13-24(22)56-31)52-9-11-54-29(46)18-38(16-27(42)43)7-5-37(15-26(40)41)6-8-39(17-28(44)45)19-30(47)55-12-10-53-21-2-4-23-25(14-21)57-32(36-23)59(34,50)51/h1-4,13-14H,5-12,15-19H2,(H,40,41)(H,42,43)(H,44,45)(H2,33,48,49)(H2,34,50,51)
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase IV


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50219174
PNG
(CHEMBL2112274)
Show SMILES [Zn++].NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC([O-])=O)CC(O)=O)s1
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards cloned human Dopamine receptor D2A using [3H]- Raclopride as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230939
PNG
(CHEMBL4067135)
PDB
MMDB

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4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230194
PNG
(CHEMBL4082922)
PDB
MMDB

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4.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50209284
PNG
(CHEMBL3884126)
Show SMILES COc1cc(OC)c(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1
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5n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50097293
PNG
(CHEMBL34852 | {(2-{[2-(Bis-carboxymethyl-amino)-et...)
Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)cc2s1
Show InChI InChI=1S/C23H31N5O13S2/c24-43(38,39)23-25-16-2-1-15(9-17(16)42-23)40-7-8-41-22(37)14-28(13-21(35)36)6-4-26(10-18(29)30)3-5-27(11-19(31)32)12-20(33)34/h1-2,9H,3-8,10-14H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,24,38,39)
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase IV


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50219176
PNG
(CHEMBL2111218)
Show SMILES [Zn++].Cn1nc(s\c1=N\C(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)\N=c1/sc(nn1C)S(N)(=O)=O)CC([O-])=O)CC(O)=O)S(N)(=O)=O
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards cloned rat 5-hydroxytryptamine 7 receptor using [3H]-5-HT as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50097307
PNG
(CHEMBL408856 | [[2-(Carboxymethyl-{2-[carboxymethy...)
Show SMILES NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Oc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc2s1
Show InChI InChI=1S/C28H31N7O14S4/c29-52(44,45)27-31-18-3-1-16(9-20(18)50-27)48-25(42)14-34(12-23(38)39)7-5-33(11-22(36)37)6-8-35(13-24(40)41)15-26(43)49-17-2-4-19-21(10-17)51-28(32-19)53(30,46)47/h1-4,9-10H,5-8,11-15H2,(H,36,37)(H,38,39)(H,40,41)(H2,29,44,45)(H2,30,46,47)
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase IV


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230207
PNG
(CHEMBL4069089)
PDB
MMDB

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5.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50097275
PNG
(CHEMBL286586 | {{2-[Carboxymethyl-(2-{carboxymethy...)
Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc2s1
Show InChI InChI=1S/C28H33N9O12S4/c29-52(46,47)27-33-18-3-1-16(9-20(18)50-27)31-22(38)11-36(14-25(42)43)7-5-35(13-24(40)41)6-8-37(15-26(44)45)12-23(39)32-17-2-4-19-21(10-17)51-28(34-19)53(30,48)49/h1-4,9-10H,5-8,11-15H2,(H,31,38)(H,32,39)(H,40,41)(H,42,43)(H,44,45)(H2,29,46,47)(H2,30,48,49)
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase IV


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50097298
PNG
(CHEMBL34317 | [(2-{[2-(Bis-carboxymethyl-amino)-et...)
Show SMILES NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)cc2s1
Show InChI InChI=1S/C21H27N5O12S2/c22-40(36,37)21-23-14-2-1-13(7-15(14)39-21)38-20(35)12-26(11-19(33)34)6-4-24(8-16(27)28)3-5-25(9-17(29)30)10-18(31)32/h1-2,7H,3-6,8-12H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H2,22,36,37)
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase IV


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50097287
PNG
(CHEMBL432083 | Zinc{{2-[Carboxymethyl-(2-{carboxym...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)CC(O)=O)s1
Show InChI InChI=1S/C18H27N11O12S4/c19-44(38,39)17-25-23-15(42-17)21-10(30)5-28(8-13(34)35)3-1-27(7-12(32)33)2-4-29(9-14(36)37)6-11(31)22-16-24-26-18(43-16)45(20,40)41/h1-9H2,(H,32,33)(H,34,35)(H,36,37)(H2,19,38,39)(H2,20,40,41)(H,21,23,30)(H,22,24,31)
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7n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase IV


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50209287
PNG
(CHEMBL3884217)
Show SMILES COc1ccc(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1
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7.40n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 539-544 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50231538
PNG
(CHEMBL4102368)
PDB
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Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230193
PNG
(CHEMBL4097542)
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Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50097288
PNG
(((2-{Carboxymethyl-[2-(carboxymethyl-{[2-(5-sulfam...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)NCCC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)CC(O)=O)s1
Show InChI InChI=1S/C24H37N13O14S4/c25-54(48,49)23-33-31-21(52-23)29-14(38)1-3-27-16(40)9-36(12-19(44)45)7-5-35(11-18(42)43)6-8-37(13-20(46)47)10-17(41)28-4-2-15(39)30-22-32-34-24(53-22)55(26,50)51/h1-13H2,(H,27,40)(H,28,41)(H,42,43)(H,44,45)(H,46,47)(H2,25,48,49)(H2,26,50,51)(H,29,31,38)(H,30,32,39)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase IV


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230198
PNG
(CHEMBL4087725)
PDB
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8.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230202
PNG
(CHEMBL4063405)
PDB
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Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50231532
PNG
(CHEMBL4072247)
PDB
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8.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50097289
PNG
(((2-{Carboxymethyl-[2-(carboxymethyl-{[3-methyl-5-...)
Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O
Show InChI InChI=1S/C20H31N11O12S4/c1-27-17(44-19(25-27)46(21,40)41)23-12(32)7-30(10-15(36)37)5-3-29(9-14(34)35)4-6-31(11-16(38)39)8-13(33)24-18-28(2)26-20(45-18)47(22,42)43/h3-11H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H2,21,40,41)(H2,22,42,43)
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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase IV


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230199
PNG
(CHEMBL4076291)
PDB
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9n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50097309
PNG
((Carboxymethyl-{2-[carboxymethyl-(2-{carboxymethyl...)
Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)cc2s1
Show InChI InChI=1S/C21H28N6O11S2/c22-40(37,38)21-24-14-2-1-13(7-15(14)39-21)23-16(28)8-26(10-18(31)32)5-3-25(9-17(29)30)4-6-27(11-19(33)34)12-20(35)36/h1-2,7H,3-6,8-12H2,(H,23,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,22,37,38)
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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase IV


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230201
PNG
(CHEMBL4103176)
PDB
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Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230208
PNG
(CHEMBL4104094)
PDB
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Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50231533
PNG
(CHEMBL4100722)
PDB
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9.30n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230206
PNG
(CHEMBL4094868)
PDB
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9.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230200
PNG
(CHEMBL4079848)
PDB
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Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230203
PNG
(CHEMBL4067437)
PDB
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9.80n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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10n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50208754
PNG
(1-(4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H27N3O7S2/c1-17(2)26-13-9-25-19(15(14(13)27-17)28-18(3,4)29-19)10-21-16(30)22-11-5-7-12(8-6-11)31(20,23)24/h5-8,13-15H,9-10H2,1-4H3,(H2,20,23,24)(H2,21,22,30)/t13-,14-,15+,19+/m1/s1
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10n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA4 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)

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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11n/an/an/an/an/an/an/an/a



MC-98000 Princ

Curated by ChEMBL


Assay Description
Inhibition of human secreted carbonic anhydrase 4 measured by CO2 hydration reaction assay


Bioorg Med Chem Lett 19: 650-3 (2009)

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Ligand-Target Pair
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