BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'de souza' and Initial = 'mc'   
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))
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
6n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
MMDB
PDB
Article
PubMed
12n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
25n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
75n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535388
PNG
(CHEMBL4594101)
Show SMILES [Ag;v0+].[#6]-n1nc(sc1=[#7])S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C3H4N5O4S2/c1-7-2(4)13-3(5-7)14(11,12)6-8(9)10/h4H,1H3/q-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
230n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
250n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50438272
PNG
(CHEMBL560455)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C15H14ClNO7/c16-6-1-2-9-7(3-6)11(19)8(15(22)23)4-17(9)14-13(21)12(20)10(5-18)24-14/h1-4,10,12-14,18,20-21H,5H2,(H,22,23)/t10-,12-,13-,14-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
500n/an/an/an/an/an/an/an/a



Universidade Federal Fluminense

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 reverse transcriptase


Bioorg Med Chem Lett 22: 5055-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.020
BindingDB Entry DOI: 10.7270/Q2VX0KCN
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50438272
PNG
(CHEMBL560455)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C15H14ClNO7/c16-6-1-2-9-7(3-6)11(19)8(15(22)23)4-17(9)14-13(21)12(20)10(5-18)24-14/h1-4,10,12-14,18,20-21H,5H2,(H,22,23)/t10-,12-,13-,14-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
500n/an/an/an/an/an/an/an/a



Universidade Federal Fluminense

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 reverse transcriptase


Bioorg Med Chem Lett 22: 5055-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.020
BindingDB Entry DOI: 10.7270/Q2VX0KCN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535392
PNG
(CHEMBL4436477)
Show SMILES [Ag;v0+].[#7]-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-3-1-2-4-6(5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
520n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535389
PNG
(CHEMBL4545611)
Show SMILES [Ag;v0+].[#7]-c1cc(cc(c1-[#8])-[#7+](-[#8-])=O)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H5N4O7S/c7-4-1-3(18(16,17)8-10(14)15)2-5(6(4)11)9(12)13/h1-2,11H,7H2/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
550n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535390
PNG
(CHEMBL4558023)
Show SMILES [Ag;v0+].[#7]-[#6]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C7H8N3O4S/c8-5-6-1-3-7(4-2-6)15(13,14)9-10(11)12/h1-4H,5,8H2/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
650n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535392
PNG
(CHEMBL4436477)
Show SMILES [Ag;v0+].[#7]-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-3-1-2-4-6(5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
750n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535388
PNG
(CHEMBL4594101)
Show SMILES [Ag;v0+].[#6]-n1nc(sc1=[#7])S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C3H4N5O4S2/c1-7-2(4)13-3(5-7)14(11,12)6-8(9)10/h4H,1H3/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
760n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535396
PNG
(CHEMBL4580887)
Show SMILES [Ag;v0+].[#7]-c1nnc(s1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C2H2N5O4S2/c3-1-4-5-2(12-1)13(10,11)6-7(8)9/h(H2,3,4)/q-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
840n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535396
PNG
(CHEMBL4580887)
Show SMILES [Ag;v0+].[#7]-c1nnc(s1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C2H2N5O4S2/c3-1-4-5-2(12-1)13(10,11)6-7(8)9/h(H2,3,4)/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
920n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535396
PNG
(CHEMBL4580887)
Show SMILES [Ag;v0+].[#7]-c1nnc(s1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C2H2N5O4S2/c3-1-4-5-2(12-1)13(10,11)6-7(8)9/h(H2,3,4)/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535389
PNG
(CHEMBL4545611)
Show SMILES [Ag;v0+].[#7]-c1cc(cc(c1-[#8])-[#7+](-[#8-])=O)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H5N4O7S/c7-4-1-3(18(16,17)8-10(14)15)2-5(6(4)11)9(12)13/h1-2,11H,7H2/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535395
PNG
(CHEMBL4562842)
Show SMILES [Ag;v0+].[#7]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-1-3-6(4-2-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50535388
PNG
(CHEMBL4594101)
Show SMILES [Ag;v0+].[#6]-n1nc(sc1=[#7])S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C3H4N5O4S2/c1-7-2(4)13-3(5-7)14(11,12)6-8(9)10/h4H,1H3/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535391
PNG
(CHEMBL4476550)
Show SMILES [Ag;v0+].[#7]-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-2-1-3-6(4-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.60E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50535396
PNG
(CHEMBL4580887)
Show SMILES [Ag;v0+].[#7]-c1nnc(s1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C2H2N5O4S2/c3-1-4-5-2(12-1)13(10,11)6-7(8)9/h(H2,3,4)/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535390
PNG
(CHEMBL4558023)
Show SMILES [Ag;v0+].[#7]-[#6]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C7H8N3O4S/c8-5-6-1-3-7(4-2-6)15(13,14)9-10(11)12/h1-4H,5,8H2/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.10E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535394
PNG
(CHEMBL4544253)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-5-3-4-6-8(7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.60E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535397
PNG
(CHEMBL4439864)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.90E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535391
PNG
(CHEMBL4476550)
Show SMILES [Ag;v0+].[#7]-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-2-1-3-6(4-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.30E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535397
PNG
(CHEMBL4439864)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.50E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535393
PNG
(CHEMBL4443515)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-4-3-5-8(6-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.50E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535388
PNG
(CHEMBL4594101)
Show SMILES [Ag;v0+].[#6]-n1nc(sc1=[#7])S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C3H4N5O4S2/c1-7-2(4)13-3(5-7)14(11,12)6-8(9)10/h4H,1H3/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.80E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50535388
PNG
(CHEMBL4594101)
Show SMILES [Ag;v0+].[#6]-n1nc(sc1=[#7])S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C3H4N5O4S2/c1-7-2(4)13-3(5-7)14(11,12)6-8(9)10/h4H,1H3/q-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.90E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535389
PNG
(CHEMBL4545611)
Show SMILES [Ag;v0+].[#7]-c1cc(cc(c1-[#8])-[#7+](-[#8-])=O)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H5N4O7S/c7-4-1-3(18(16,17)8-10(14)15)2-5(6(4)11)9(12)13/h1-2,11H,7H2/q-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.20E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535390
PNG
(CHEMBL4558023)
Show SMILES [Ag;v0+].[#7]-[#6]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C7H8N3O4S/c8-5-6-1-3-7(4-2-6)15(13,14)9-10(11)12/h1-4H,5,8H2/q-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.40E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535391
PNG
(CHEMBL4476550)
Show SMILES [Ag;v0+].[#7]-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-2-1-3-6(4-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.40E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50535393
PNG
(CHEMBL4443515)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-4-3-5-8(6-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.70E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50535394
PNG
(CHEMBL4544253)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-5-3-4-6-8(7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.20E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535393
PNG
(CHEMBL4443515)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-4-3-5-8(6-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.80E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50535396
PNG
(CHEMBL4580887)
Show SMILES [Ag;v0+].[#7]-c1nnc(s1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C2H2N5O4S2/c3-1-4-5-2(12-1)13(10,11)6-7(8)9/h(H2,3,4)/q-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.30E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50535391
PNG
(CHEMBL4476550)
Show SMILES [Ag;v0+].[#7]-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-2-1-3-6(4-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.70E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535394
PNG
(CHEMBL4544253)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-5-3-4-6-8(7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8.00E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50535395
PNG
(CHEMBL4562842)
Show SMILES [Ag;v0+].[#7]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-1-3-6(4-2-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.40E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535397
PNG
(CHEMBL4439864)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-3-5-8(6-4-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)
BDBM50438269
PNG
(CHEMBL2408381)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)c2ccc(Br)cc12 |r|
Show InChI InChI=1S/C15H14BrNO7/c16-6-1-2-7-9(3-6)17(4-8(11(7)19)15(22)23)14-13(21)12(20)10(5-18)24-14/h1-4,10,12-14,18,20-21H,5H2,(H,22,23)/t10-,12-,13-,14-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+4n/an/an/an/an/an/an/an/a



da Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method


Bioorg Med Chem Lett 23: 4597-601 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.029
BindingDB Entry DOI: 10.7270/Q2Q52R15
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)
BDBM50438274
PNG
(CHEMBL2408382)
Show SMILES Cc1ccc2c(c1)n(cc(C(O)=O)c2=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H17NO7/c1-7-2-3-8-10(4-7)17(5-9(12(8)19)16(22)23)15-14(21)13(20)11(6-18)24-15/h2-5,11,13-15,18,20-21H,6H2,1H3,(H,22,23)/t11-,13-,14-,15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.71E+4n/an/an/an/an/an/an/an/a



da Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method


Bioorg Med Chem Lett 23: 4597-601 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.029
BindingDB Entry DOI: 10.7270/Q2Q52R15
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50535393
PNG
(CHEMBL4443515)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1cccc(c1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-4-3-5-8(6-7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.81E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)
BDBM50438268
PNG
(CHEMBL2408383)
Show SMILES COc1ccc2n(cc(C(O)=O)c(=O)c2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H17NO8/c1-24-7-2-3-10-8(4-7)12(19)9(16(22)23)5-17(10)15-14(21)13(20)11(6-18)25-15/h2-5,11,13-15,18,20-21H,6H2,1H3,(H,22,23)/t11-,13-,14-,15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.87E+4n/an/an/an/an/an/an/an/a



da Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method


Bioorg Med Chem Lett 23: 4597-601 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.029
BindingDB Entry DOI: 10.7270/Q2Q52R15
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50535389
PNG
(CHEMBL4545611)
Show SMILES [Ag;v0+].[#7]-c1cc(cc(c1-[#8])-[#7+](-[#8-])=O)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H5N4O7S/c7-4-1-3(18(16,17)8-10(14)15)2-5(6(4)11)9(12)13/h1-2,11H,7H2/q-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.98E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535395
PNG
(CHEMBL4562842)
Show SMILES [Ag;v0+].[#7]-c1ccc(cc1)S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-1-3-6(4-2-5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.36E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50535392
PNG
(CHEMBL4436477)
Show SMILES [Ag;v0+].[#7]-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C6H6N3O4S/c7-5-3-1-2-4-6(5)14(12,13)8-9(10)11/h1-4H,7H2/q-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.90E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)
BDBM50438273
PNG
(CHEMBL2408384)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)c2cc(Br)ccc12 |r|
Show InChI InChI=1S/C15H14BrNO7/c16-6-1-2-9-7(3-6)11(19)8(15(22)23)4-17(9)14-13(21)12(20)10(5-18)24-14/h1-4,10,12-14,18,20-21H,5H2,(H,22,23)/t10-,12-,13-,14-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.95E+4n/an/an/an/an/an/an/an/a



da Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method


Bioorg Med Chem Lett 23: 4597-601 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.029
BindingDB Entry DOI: 10.7270/Q2Q52R15
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50535394
PNG
(CHEMBL4544253)
Show SMILES [Ag;v0+].[#6]-[#7](-[#6])-c1ccccc1S(=O)(=O)[#7-]-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N3O4S/c1-10(2)7-5-3-4-6-8(7)16(14,15)9-11(12)13/h3-6H,1-2H3/q-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.22E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


ACS Med Chem Lett 10: 413-418 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00430
BindingDB Entry DOI: 10.7270/Q2RX9GKK
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)
BDBM50438272
PNG
(CHEMBL560455)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C15H14ClNO7/c16-6-1-2-9-7(3-6)11(19)8(15(22)23)4-17(9)14-13(21)12(20)10(5-18)24-14/h1-4,10,12-14,18,20-21H,5H2,(H,22,23)/t10-,12-,13-,14-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.23E+4n/an/an/an/an/an/an/an/a



da Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method


Bioorg Med Chem Lett 23: 4597-601 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.029
BindingDB Entry DOI: 10.7270/Q2Q52R15
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 108 total )  |  Next  |  Last  >>
Jump to: