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PubMed code 26005525

Compile data set for download or QSAR
Found 5 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 2


(Homo sapiens (Human))
BDBM50091614
PNG
(CHEMBL3582347)
Show SMILES CC(C)c1cccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C36H47N5O4.H2O4S/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;1-5(2,3)4/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);(H2,1,2,3,4)/p-2/t28-,29+,31+,32-,33?;/m1./s1
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Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 518-22 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00062
BindingDB Entry DOI: 10.7270/Q2GF0W8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50091598
PNG
(CHEMBL3582349)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1Cl
Show InChI InChI=1S/C38H47N5O5/c1-38(2,3)41-36(47)32-24-42(22-26-18-28-13-16-48-37(28)39-21-26)14-15-43(32)23-30(44)19-29(17-25-9-5-4-6-10-25)35(46)40-34-31-12-8-7-11-27(31)20-33(34)45/h4-13,16,18,21,29-30,32-34,44-45H,14-15,17,19-20,22-24H2,1-3H3,(H,40,46)(H,41,47)/t29-,30+,32+,33-,34?/m1/s1
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Article
PubMed
0.770n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 518-22 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00062
BindingDB Entry DOI: 10.7270/Q2GF0W8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50091688
PNG
(CHEMBL3582345)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C17H15N3O3S/c18-24(22,23)16-9-7-14(8-10-16)19-17(21)20-15-6-5-12-3-1-2-4-13(12)11-15/h1-11H,(H2,18,22,23)(H2,19,20,21)
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PubMed
2.60n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 518-22 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00062
BindingDB Entry DOI: 10.7270/Q2GF0W8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50091613
PNG
(CHEMBL3582348)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1
Show InChI InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26?,27-,29+/m0/s1
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Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 518-22 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00062
BindingDB Entry DOI: 10.7270/Q2GF0W8S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50091619
PNG
(CHEMBL3582346)
Show SMILES CC(C)Oc1cccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H19N3O4S/c1-11(2)23-14-5-3-4-13(10-14)19-16(20)18-12-6-8-15(9-7-12)24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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Article
PubMed
3.90n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


ACS Med Chem Lett 6: 518-22 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00062
BindingDB Entry DOI: 10.7270/Q2GF0W8S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%