BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 100 hits from Abant Izzet Baysal University   
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 2


(Homo sapiens (human))
BDBM50211599
PNG
(CHEMBL3986308)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C16H13N5O6S/c17-15-13(14(20-27-15)11-3-1-2-4-12(11)21(23)24)16(22)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,22)(H2,18,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211601
PNG
(CHEMBL3889623)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN4O4S/c17-10-3-1-9(2-4-10)14-13(15(18)25-21-14)16(22)20-11-5-7-12(8-6-11)26(19,23)24/h1-8H,18H2,(H,20,22)(H2,19,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211600
PNG
(CHEMBL3907577)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H13N5O6S/c17-15-13(14(20-27-15)9-1-5-11(6-2-9)21(23)24)16(22)19-10-3-7-12(8-4-10)28(18,25)26/h1-8H,17H2,(H,19,22)(H2,18,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(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
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211599
PNG
(CHEMBL3986308)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C16H13N5O6S/c17-15-13(14(20-27-15)11-3-1-2-4-12(11)21(23)24)16(22)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,22)(H2,18,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211603
PNG
(CHEMBL3916544)
Show SMILES COc1cc(Cl)c(cc1OC)-c1noc(N)c1C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17ClN4O6S/c1-27-13-7-11(12(19)8-14(13)28-2)16-15(17(20)29-23-16)18(24)22-9-3-5-10(6-4-9)30(21,25)26/h3-8H,20H2,1-2H3,(H,22,24)(H2,21,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211596
PNG
(CHEMBL3978103)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H14N4O4S/c17-15-13(14(20-24-15)10-4-2-1-3-5-10)16(21)19-11-6-8-12(9-7-11)25(18,22)23/h1-9H,17H2,(H,19,21)(H2,18,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.60n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211593
PNG
(CHEMBL3925554)
Show SMILES Nc1onc(-c2ccc(Cl)s2)c1C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H11ClN4O4S2/c15-10-6-5-9(24-10)12-11(13(16)23-19-12)14(20)18-7-1-3-8(4-2-7)25(17,21)22/h1-6H,16H2,(H,18,20)(H2,17,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.40n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211593
PNG
(CHEMBL3925554)
Show SMILES Nc1onc(-c2ccc(Cl)s2)c1C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H11ClN4O4S2/c15-10-6-5-9(24-10)12-11(13(16)23-19-12)14(20)18-7-1-3-8(4-2-7)25(17,21)22/h1-6H,16H2,(H,18,20)(H2,17,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.70n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211644
PNG
(CHEMBL3917491)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H12Cl2N4O4S/c17-8-1-6-11(12(18)7-8)14-13(15(19)26-22-14)16(23)21-9-2-4-10(5-3-9)27(20,24)25/h1-7H,19H2,(H,21,23)(H2,20,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211511
PNG
(CHEMBL3969743)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C16H13FN4O4S/c17-10-3-1-9(2-4-10)14-13(15(18)25-21-14)16(22)20-11-5-7-12(8-6-11)26(19,23)24/h1-8H,18H2,(H,20,22)(H2,19,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.60n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211596
PNG
(CHEMBL3978103)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H14N4O4S/c17-15-13(14(20-24-15)10-4-2-1-3-5-10)16(21)19-11-6-8-12(9-7-11)25(18,22)23/h1-9H,17H2,(H,19,21)(H2,18,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211601
PNG
(CHEMBL3889623)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN4O4S/c17-10-3-1-9(2-4-10)14-13(15(18)25-21-14)16(22)20-11-5-7-12(8-6-11)26(19,23)24/h1-8H,18H2,(H,20,22)(H2,19,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.20n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211589
PNG
(CHEMBL3898548)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H13BrN4O4S/c17-10-3-1-9(2-4-10)14-13(15(18)25-21-14)16(22)20-11-5-7-12(8-6-11)26(19,23)24/h1-8H,18H2,(H,20,22)(H2,19,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.40n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211603
PNG
(CHEMBL3916544)
Show SMILES COc1cc(Cl)c(cc1OC)-c1noc(N)c1C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17ClN4O6S/c1-27-13-7-11(12(19)8-14(13)28-2)16-15(17(20)29-23-16)18(24)22-9-3-5-10(6-4-9)30(21,25)26/h3-8H,20H2,1-2H3,(H,22,24)(H2,21,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.80n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211590
PNG
(CHEMBL3897472)
Show SMILES Nc1onc(-c2ccc(Cl)o2)c1C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H11ClN4O5S/c15-10-6-5-9(23-10)12-11(13(16)24-19-12)14(20)18-7-1-3-8(4-2-7)25(17,21)22/h1-6H,16H2,(H,18,20)(H2,17,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211588
PNG
(CHEMBL3894919)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C16H12Cl2N4O4S/c17-10-2-1-3-11(18)12(10)14-13(15(19)26-22-14)16(23)21-8-4-6-9(7-5-8)27(20,24)25/h1-7H,19H2,(H,21,23)(H2,20,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8.20n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211589
PNG
(CHEMBL3898548)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H13BrN4O4S/c17-10-3-1-9(2-4-10)14-13(15(18)25-21-14)16(22)20-11-5-7-12(8-6-11)26(19,23)24/h1-8H,18H2,(H,20,22)(H2,19,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.60n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211600
PNG
(CHEMBL3907577)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H13N5O6S/c17-15-13(14(20-27-15)9-1-5-11(6-2-9)21(23)24)16(22)19-10-3-7-12(8-4-10)28(18,25)26/h1-8H,17H2,(H,19,22)(H2,18,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.60n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211511
PNG
(CHEMBL3969743)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C16H13FN4O4S/c17-10-3-1-9(2-4-10)14-13(15(18)25-21-14)16(22)20-11-5-7-12(8-6-11)26(19,23)24/h1-8H,18H2,(H,20,22)(H2,19,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211595
PNG
(CHEMBL3918390)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(Br)cc3)onc2-c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C23H15BrCl2N4O5S/c24-13-6-4-12(5-7-13)21(31)29-23-19(20(30-35-23)18-16(25)2-1-3-17(18)26)22(32)28-14-8-10-15(11-9-14)36(27,33)34/h1-11H,(H,28,32)(H,29,31)(H2,27,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211644
PNG
(CHEMBL3917491)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H12Cl2N4O4S/c17-8-1-6-11(12(18)7-8)14-13(15(19)26-22-14)16(23)21-9-2-4-10(5-3-9)27(20,24)25/h1-7H,19H2,(H,21,23)(H2,20,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
29n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211601
PNG
(CHEMBL3889623)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN4O4S/c17-10-3-1-9(2-4-10)14-13(15(18)25-21-14)16(22)20-11-5-7-12(8-6-11)26(19,23)24/h1-8H,18H2,(H,20,22)(H2,19,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211603
PNG
(CHEMBL3916544)
Show SMILES COc1cc(Cl)c(cc1OC)-c1noc(N)c1C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17ClN4O6S/c1-27-13-7-11(12(19)8-14(13)28-2)16-15(17(20)29-23-16)18(24)22-9-3-5-10(6-4-9)30(21,25)26/h3-8H,20H2,1-2H3,(H,22,24)(H2,21,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211590
PNG
(CHEMBL3897472)
Show SMILES Nc1onc(-c2ccc(Cl)o2)c1C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H11ClN4O5S/c15-10-6-5-9(23-10)12-11(13(16)24-19-12)14(20)18-7-1-3-8(4-2-7)25(17,21)22/h1-6H,16H2,(H,18,20)(H2,17,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
49n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211588
PNG
(CHEMBL3894919)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C16H12Cl2N4O4S/c17-10-2-1-3-11(18)12(10)14-13(15(19)26-22-14)16(23)21-8-4-6-9(7-5-8)27(20,24)25/h1-7H,19H2,(H,21,23)(H2,20,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211588
PNG
(CHEMBL3894919)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C16H12Cl2N4O4S/c17-10-2-1-3-11(18)12(10)14-13(15(19)26-22-14)16(23)21-8-4-6-9(7-5-8)27(20,24)25/h1-7H,19H2,(H,21,23)(H2,20,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
52n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211510
PNG
(CHEMBL3946274)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(Cl)cc3)onc2-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C23H15Cl3N4O5S/c24-13-3-1-12(2-4-13)21(31)29-23-19(20(30-35-23)17-10-5-14(25)11-18(17)26)22(32)28-15-6-8-16(9-7-15)36(27,33)34/h1-11H,(H,28,32)(H,29,31)(H2,27,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
55n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211594
PNG
(CHEMBL3927339)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(Cl)cc3)onc2-c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C23H15Cl3N4O5S/c24-13-6-4-12(5-7-13)21(31)29-23-19(20(30-35-23)18-16(25)2-1-3-17(18)26)22(32)28-14-8-10-15(11-9-14)36(27,33)34/h1-11H,(H,28,32)(H,29,31)(H2,27,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
58n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211594
PNG
(CHEMBL3927339)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(Cl)cc3)onc2-c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C23H15Cl3N4O5S/c24-13-6-4-12(5-7-13)21(31)29-23-19(20(30-35-23)18-16(25)2-1-3-17(18)26)22(32)28-14-8-10-15(11-9-14)36(27,33)34/h1-11H,(H,28,32)(H,29,31)(H2,27,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
62n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211591
PNG
(CHEMBL3890026)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(Br)cc3)onc2-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C23H15BrCl2N4O5S/c24-13-3-1-12(2-4-13)21(31)29-23-19(20(30-35-23)17-10-5-14(25)11-18(17)26)22(32)28-15-6-8-16(9-7-15)36(27,33)34/h1-11H,(H,28,32)(H,29,31)(H2,27,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
65n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211602
PNG
(CHEMBL3918052)
Show SMILES COc1ccc(cc1)C(=O)Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C24H18Cl2N4O6S/c1-35-15-9-5-13(6-10-15)22(31)29-24-20(21(30-36-24)19-17(25)3-2-4-18(19)26)23(32)28-14-7-11-16(12-8-14)37(27,33)34/h2-12H,1H3,(H,28,32)(H,29,31)(H2,27,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
67n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211602
PNG
(CHEMBL3918052)
Show SMILES COc1ccc(cc1)C(=O)Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C24H18Cl2N4O6S/c1-35-15-9-5-13(6-10-15)22(31)29-24-20(21(30-36-24)19-17(25)3-2-4-18(19)26)23(32)28-14-7-11-16(12-8-14)37(27,33)34/h2-12H,1H3,(H,28,32)(H,29,31)(H2,27,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
71n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211602
PNG
(CHEMBL3918052)
Show SMILES COc1ccc(cc1)C(=O)Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C24H18Cl2N4O6S/c1-35-15-9-5-13(6-10-15)22(31)29-24-20(21(30-36-24)19-17(25)3-2-4-18(19)26)23(32)28-14-7-11-16(12-8-14)37(27,33)34/h2-12H,1H3,(H,28,32)(H,29,31)(H2,27,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
71n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(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
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
74n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211509
PNG
(CHEMBL3979377)
Show SMILES COc1ccc(cc1)C(=O)Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H18Cl2N4O6S/c1-35-16-7-2-13(3-8-16)22(31)29-24-20(21(30-36-24)18-11-4-14(25)12-19(18)26)23(32)28-15-5-9-17(10-6-15)37(27,33)34/h2-12H,1H3,(H,28,32)(H,29,31)(H2,27,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
77n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211510
PNG
(CHEMBL3946274)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(Cl)cc3)onc2-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C23H15Cl3N4O5S/c24-13-3-1-12(2-4-13)21(31)29-23-19(20(30-35-23)17-10-5-14(25)11-18(17)26)22(32)28-15-6-8-16(9-7-15)36(27,33)34/h1-11H,(H,28,32)(H,29,31)(H2,27,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
80n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211509
PNG
(CHEMBL3979377)
Show SMILES COc1ccc(cc1)C(=O)Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H18Cl2N4O6S/c1-35-16-7-2-13(3-8-16)22(31)29-24-20(21(30-36-24)18-11-4-14(25)12-19(18)26)23(32)28-15-5-9-17(10-6-15)37(27,33)34/h2-12H,1H3,(H,28,32)(H,29,31)(H2,27,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
86n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211512
PNG
(CHEMBL3982616)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(cc3)[N+]([O-])=O)onc2-c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C23H15Cl2N5O7S/c24-16-2-1-3-17(25)18(16)20-19(22(32)27-13-6-10-15(11-7-13)38(26,35)36)23(37-29-20)28-21(31)12-4-8-14(9-5-12)30(33)34/h1-11H,(H,27,32)(H,28,31)(H2,26,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
89n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211595
PNG
(CHEMBL3918390)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(Br)cc3)onc2-c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C23H15BrCl2N4O5S/c24-13-6-4-12(5-7-13)21(31)29-23-19(20(30-35-23)18-16(25)2-1-3-17(18)26)22(32)28-14-8-10-15(11-9-14)36(27,33)34/h1-11H,(H,28,32)(H,29,31)(H2,27,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
108n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211644
PNG
(CHEMBL3917491)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H12Cl2N4O4S/c17-8-1-6-11(12(18)7-8)14-13(15(19)26-22-14)16(23)21-9-2-4-10(5-3-9)27(20,24)25/h1-7H,19H2,(H,21,23)(H2,20,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

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



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211588
PNG
(CHEMBL3894919)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C16H12Cl2N4O4S/c17-10-2-1-3-11(18)12(10)14-13(15(19)26-22-14)16(23)21-8-4-6-9(7-5-8)27(20,24)25/h1-7H,19H2,(H,21,23)(H2,20,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
146n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211513
PNG
(CHEMBL3936291)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccccc3)onc2-c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C23H16Cl2N4O5S/c24-16-7-4-8-17(25)18(16)20-19(22(31)27-14-9-11-15(12-10-14)35(26,32)33)23(34-29-20)28-21(30)13-5-2-1-3-6-13/h1-12H,(H,27,31)(H,28,30)(H2,26,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
151n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211643
PNG
(CHEMBL3974625)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(cc3)[N+]([O-])=O)onc2-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H16FN5O7S/c24-15-5-1-13(2-6-15)20-19(22(31)26-16-7-11-18(12-8-16)37(25,34)35)23(36-28-20)27-21(30)14-3-9-17(10-4-14)29(32)33/h1-12H,(H,26,31)(H,27,30)(H2,25,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
168n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211591
PNG
(CHEMBL3890026)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(Br)cc3)onc2-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C23H15BrCl2N4O5S/c24-13-3-1-12(2-4-13)21(31)29-23-19(20(30-35-23)17-10-5-14(25)11-18(17)26)22(32)28-15-6-8-16(9-7-15)36(27,33)34/h1-11H,(H,28,32)(H,29,31)(H2,27,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
188n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211594
PNG
(CHEMBL3927339)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(Cl)cc3)onc2-c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C23H15Cl3N4O5S/c24-13-6-4-12(5-7-13)21(31)29-23-19(20(30-35-23)18-16(25)2-1-3-17(18)26)22(32)28-14-8-10-15(11-9-14)36(27,33)34/h1-11H,(H,28,32)(H,29,31)(H2,27,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
198n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50211599
PNG
(CHEMBL3986308)
Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C16H13N5O6S/c17-15-13(14(20-27-15)11-3-1-2-4-12(11)21(23)24)16(22)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,22)(H2,18,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
246n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50211508
PNG
(CHEMBL3954963)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccccc3)onc2-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C23H16Cl2N4O5S/c24-14-6-11-17(18(25)12-14)20-19(22(31)27-15-7-9-16(10-8-15)35(26,32)33)23(34-29-20)28-21(30)13-4-2-1-3-5-13/h1-12H,(H,27,31)(H,28,30)(H2,26,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
246n/an/an/an/an/an/an/an/a



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
Carbonic anhydrase


(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
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Abant Izzet Baysal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay


Bioorg Med Chem 25: 1456-1464 (2017)


Article DOI: 10.1016/j.bmc.2017.01.008
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Displayed 1 to 50 (of 100 total )  |  Next  |  Last  >>
Jump to: