BindingDB logo
myBDB logout

14 molecules are shown

Wt: 290.3
BDBM12013
Purchase
Wt: 445.4
BDBM12417
Wt: 238.2
BDBM12916
Purchase
Wt: 476.5
BDBM50031452
Wt: 446.4
BDBM50031453
Wt: 389.4
BDBM50031454
Wt: 517.6
BDBM50031455
Wt: 502.6
BDBM50031456
Wt: 258.2
BDBM50101343
Purchase
Wt: 315.3
BDBM50101383
Wt: 288.2
BDBM50101349
Wt: 272.2
BDBM50101353
Wt: 369.4
BDBM50101335
Wt: 372.3
BDBM50288925

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 12013,12417,12916,50031452,50031453,50031454,50031455,50031456,50101343,50101383,50101349,50101353,50101335,50288925   
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 12


(Homo sapiens (human))
BDBM12916
PNG
(CHEMBL386542 | N-(Prop-2-ynyl)-4-sulfamoylbenzamid...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC#C
Show InChI InChI=1S/C10H10N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h1,3-6H,7H2,(H,12,13)(H2,11,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
BindingDB Entry DOI: 10.7270/Q2JD4XMG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101335
PNG
(4-Sulfamoyl-N-(4-sulfamoyl-benzyl)-benzamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H15N3O5S2/c15-23(19,20)12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)24(16,21)22/h1-8H,9H2,(H,17,18)(H2,15,19,20)(H2,16,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM12916
PNG
(CHEMBL386542 | N-(Prop-2-ynyl)-4-sulfamoylbenzamid...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC#C
Show InChI InChI=1S/C10H10N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h1,3-6H,7H2,(H,12,13)(H2,11,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
11.3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
BindingDB Entry DOI: 10.7270/Q2JD4XMG
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101335
PNG
(4-Sulfamoyl-N-(4-sulfamoyl-benzyl)-benzamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H15N3O5S2/c15-23(19,20)12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)24(16,21)22/h1-8H,9H2,(H,17,18)(H2,15,19,20)(H2,16,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101335
PNG
(4-Sulfamoyl-N-(4-sulfamoyl-benzyl)-benzamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H15N3O5S2/c15-23(19,20)12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)24(16,21)22/h1-8H,9H2,(H,17,18)(H2,15,19,20)(H2,16,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
40n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101383
PNG
(CHEMBL431742 | [2-(4-Sulfamoyl-benzoylamino)-acety...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C11H13N3O6S/c12-21(19,20)8-3-1-7(2-4-8)11(18)14-5-9(15)13-6-10(16)17/h1-4H,5-6H2,(H,13,15)(H,14,18)(H,16,17)(H2,12,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
42n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12916
PNG
(CHEMBL386542 | N-(Prop-2-ynyl)-4-sulfamoylbenzamid...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC#C
Show InChI InChI=1S/C10H10N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h1,3-6H,7H2,(H,12,13)(H2,11,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
47n/an/an/an/an/an/an/an/a



Griffith University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 6539-48 (2006)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q2X928HW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101383
PNG
(CHEMBL431742 | [2-(4-Sulfamoyl-benzoylamino)-acety...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C11H13N3O6S/c12-21(19,20)8-3-1-7(2-4-8)11(18)14-5-9(15)13-6-10(16)17/h1-4H,5-6H2,(H,13,15)(H,14,18)(H,16,17)(H2,12,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101353
PNG
((S)-2-(4-Sulfamoyl-benzoylamino)-propionic acid | ...)
Show SMILES C[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C10H12N2O5S/c1-6(10(14)15)12-9(13)7-2-4-8(5-3-7)18(11,16)17/h2-6H,1H3,(H,12,13)(H,14,15)(H2,11,16,17)/t6-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
75n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101353
PNG
((S)-2-(4-Sulfamoyl-benzoylamino)-propionic acid | ...)
Show SMILES C[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C10H12N2O5S/c1-6(10(14)15)12-9(13)7-2-4-8(5-3-7)18(11,16)17/h2-6H,1H3,(H,12,13)(H,14,15)(H2,11,16,17)/t6-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
79n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101343
PNG
((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
85n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM12916
PNG
(CHEMBL386542 | N-(Prop-2-ynyl)-4-sulfamoylbenzamid...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC#C
Show InChI InChI=1S/C10H10N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h1,3-6H,7H2,(H,12,13)(H2,11,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
113n/an/an/an/an/an/an/an/a



Griffith University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 6539-48 (2006)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q2X928HW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101349
PNG
((S)-3-Hydroxy-2-(4-sulfamoyl-benzoylamino)-propion...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C10H12N2O6S/c11-19(17,18)7-3-1-6(2-4-7)9(14)12-8(5-13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)(H2,11,17,18)/t8-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
120n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101343
PNG
((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine Carbonic anhydrase IV


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101349
PNG
((S)-3-Hydroxy-2-(4-sulfamoyl-benzoylamino)-propion...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C10H12N2O6S/c11-19(17,18)7-3-1-6(2-4-7)9(14)12-8(5-13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)(H2,11,17,18)/t8-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
325n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101383
PNG
(CHEMBL431742 | [2-(4-Sulfamoyl-benzoylamino)-acety...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C11H13N3O6S/c12-21(19,20)8-3-1-7(2-4-8)11(18)14-5-9(15)13-6-10(16)17/h1-4H,5-6H2,(H,13,15)(H,14,18)(H,16,17)(H2,12,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
350n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101353
PNG
((S)-2-(4-Sulfamoyl-benzoylamino)-propionic acid | ...)
Show SMILES C[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C10H12N2O5S/c1-6(10(14)15)12-9(13)7-2-4-8(5-3-7)18(11,16)17/h2-6H,1H3,(H,12,13)(H,14,15)(H2,11,16,17)/t6-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
425n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101349
PNG
((S)-3-Hydroxy-2-(4-sulfamoyl-benzoylamino)-propion...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C10H12N2O6S/c11-19(17,18)7-3-1-6(2-4-7)9(14)12-8(5-13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)(H2,11,17,18)/t8-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
440n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101343
PNG
((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12916
PNG
(CHEMBL386542 | N-(Prop-2-ynyl)-4-sulfamoylbenzamid...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC#C
Show InChI InChI=1S/C10H10N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h1,3-6H,7H2,(H,12,13)(H2,11,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.10E+3 -7.11n/an/an/an/an/a7.525



Griffith University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 6539-48 (2006)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q2X928HW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101343
PNG
((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/an/an/an/an/a 3.61E+7n/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for binding human carbonic anhydrase II (Kon=Kd x Koff)


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50288925
PNG
(CHEMBL153432 | {2-[2-(4-Sulfamoyl-benzoylamino)-ac...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C13H16N4O7S/c14-25(23,24)9-3-1-8(2-4-9)13(22)17-6-11(19)15-5-10(18)16-7-12(20)21/h1-4H,5-7H2,(H,15,19)(H,16,18)(H,17,22)(H,20,21)(H2,14,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/an/a 230n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase II Mutant (F131V)


(Homo sapiens (human))
BDBM12013
PNG
(4-(AMINOSULFONYL)-N-PHENYLMETHYLBENZAMIDE | CHEMBL...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
PubMed
n/an/an/a 5.60n/an/an/a7.437



University of Pennsylvania



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


J Am Chem Soc 123: 9620-7 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ286J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101349
PNG
((S)-3-Hydroxy-2-(4-sulfamoyl-benzoylamino)-propion...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C10H12N2O6S/c11-19(17,18)7-3-1-6(2-4-7)9(14)12-8(5-13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)(H2,11,17,18)/t8-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/an/a 240n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101353
PNG
((S)-2-(4-Sulfamoyl-benzoylamino)-propionic acid | ...)
Show SMILES C[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C10H12N2O5S/c1-6(10(14)15)12-9(13)7-2-4-8(5-3-7)18(11,16)17/h2-6H,1H3,(H,12,13)(H,14,15)(H2,11,16,17)/t6-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/an/a 120n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12417
PNG
(BR17 | copper(2+) ion 2-{2-carboxylato-12-[(4-sulf...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCOCCOCCN(CC([O-])=O)CC([O-])=O
Show InChI InChI=1S/C17H25N3O9S/c18-30(26,27)14-3-1-13(2-4-14)17(25)19-5-7-28-9-10-29-8-6-20(11-15(21)22)12-16(23)24/h1-4H,5-12H2,(H,19,25)(H,21,22)(H,23,24)(H2,18,26,27)/p-2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 27n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50031452
PNG
((R)-3-Amino-4-hydroxy-2-oxo-1-(2-{2-[2-(4-sulfamoy...)
Show SMILES NC(CO)C(=O)[C@@H]([NH3+])C(=O)NCCOCCOCCNC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H29N5O8S/c19-14(11-24)16(25)15(20)18(27)23-6-8-31-10-9-30-7-5-22-17(26)12-1-3-13(4-2-12)32(21,28)29/h1-4,14-15,24H,5-11,19-20H2,(H,22,26)(H,23,27)(H2,21,28,29)/p+1/t14?,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 41n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards Carbonic anhydrase II by competitive fluorescence assay with dansylamide


J Med Chem 38: 2286-91 (1995)


Article DOI: 10.1021/jm00013a004
BindingDB Entry DOI: 10.7270/Q2125T9G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50031453
PNG
((R)-3-Amino-2-oxo-1-(2-{2-[2-(4-sulfamoyl-benzoyla...)
Show SMILES NCC(=O)[C@@H]([NH3+])C(=O)NCCOCCOCCNC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H27N5O7S/c18-11-14(23)15(19)17(25)22-6-8-29-10-9-28-7-5-21-16(24)12-1-3-13(4-2-12)30(20,26)27/h1-4,15H,5-11,18-19H2,(H,21,24)(H,22,25)(H2,20,26,27)/p+1/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 19n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards Carbonic anhydrase II by competitive fluorescence assay with dansylamide


J Med Chem 38: 2286-91 (1995)


Article DOI: 10.1021/jm00013a004
BindingDB Entry DOI: 10.7270/Q2125T9G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50031454
PNG
((2-{2-[2-(4-Sulfamoyl-benzoylamino)-ethoxy]-ethoxy...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)C[NH3+]
Show InChI InChI=1S/C15H24N4O6S/c16-11-14(20)18-5-7-24-9-10-25-8-6-19-15(21)12-1-3-13(4-2-12)26(17,22)23/h1-4H,5-11,16H2,(H,18,20)(H,19,21)(H2,17,22,23)/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 43n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards Carbonic anhydrase II by competitive fluorescence assay with dansylamide


J Med Chem 38: 2286-91 (1995)


Article DOI: 10.1021/jm00013a004
BindingDB Entry DOI: 10.7270/Q2125T9G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50031455
PNG
((R)-3,7-Diamino-2-oxo-1-(2-{2-[2-(4-sulfamoyl-benz...)
Show SMILES NCCCCC(N)C(=O)[C@@H]([NH3+])C(=O)NCCOCCOCCNC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H36N6O7S/c22-8-2-1-3-17(23)19(28)18(24)21(30)27-10-12-34-14-13-33-11-9-26-20(29)15-4-6-16(7-5-15)35(25,31)32/h4-7,17-18H,1-3,8-14,22-24H2,(H,26,29)(H,27,30)(H2,25,31,32)/p+1/t17?,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 50n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards Carbonic anhydrase II by competitive fluorescence assay with dansylamide


J Med Chem 38: 2286-91 (1995)


Article DOI: 10.1021/jm00013a004
BindingDB Entry DOI: 10.7270/Q2125T9G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50031456
PNG
((R)-3-Amino-5-methyl-2-oxo-1-(2-{2-[2-(4-sulfamoyl...)
Show SMILES CC(C)CC(N)C(=O)[C@@H]([NH3+])C(=O)NCCOCCOCCNC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H35N5O7S/c1-14(2)13-17(22)19(27)18(23)21(29)26-8-10-33-12-11-32-9-7-25-20(28)15-3-5-16(6-4-15)34(24,30)31/h3-6,14,17-18H,7-13,22-23H2,1-2H3,(H,25,28)(H,26,29)(H2,24,30,31)/p+1/t17?,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 16n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards Carbonic anhydrase II by competitive fluorescence assay with dansylamide


J Med Chem 38: 2286-91 (1995)


Article DOI: 10.1021/jm00013a004
BindingDB Entry DOI: 10.7270/Q2125T9G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101343
PNG
((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/an/an/an/a 0.120n/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101343
PNG
((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/an/a 310n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for binding human carbonic anhydrase II


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101343
PNG
((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/an/a 330n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant was determined against human carbonic anhydrase II at 37 degree Centigrade in experiment 2


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM12417
PNG
(BR17 | copper(2+) ion 2-{2-carboxylato-12-[(4-sulf...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCOCCOCCN(CC([O-])=O)CC([O-])=O
Show InChI InChI=1S/C17H25N3O9S/c18-30(26,27)14-3-1-13(2-4-14)17(25)19-5-7-28-9-10-29-8-6-20(11-15(21)22)12-16(23)24/h1-4H,5-12H2,(H,19,25)(H,21,22)(H,23,24)(H2,18,26,27)/p-2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 230n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12013
PNG
(4-(AMINOSULFONYL)-N-PHENYLMETHYLBENZAMIDE | CHEMBL...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 1.10n/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Dissociation constant against human Carbonic anhydrase II (HCA II)


J Med Chem 37: 2100-5 (1994)


Article DOI: 10.1021/jm00039a023
BindingDB Entry DOI: 10.7270/Q2TX3DDV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101383
PNG
(CHEMBL431742 | [2-(4-Sulfamoyl-benzoylamino)-acety...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C11H13N3O6S/c12-21(19,20)8-3-1-7(2-4-8)11(18)14-5-9(15)13-6-10(16)17/h1-4H,5-6H2,(H,13,15)(H,14,18)(H,16,17)(H2,12,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/an/a 290n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)