Found 30 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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
| 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50500058
(CHEMBL3741975)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nn1 |(-7.43,20.89,;-6.79,19.84,;-8.02,19.8,;-6.2,20.93,;-5.98,18.53,;-6.7,17.17,;-5.9,15.86,;-4.36,15.91,;-3.63,17.27,;-4.44,18.58,;-3.45,14.67,;-3.93,13.2,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-2.4,7.85,;-0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-1.44,13.2,;-1.91,14.67,)| Show InChI InChI=1S/C30H22N6O7S2/c31-45(41,42)21-6-2-18(3-7-21)36-15-17(34-35-36)14-32-30(44)33-16-1-8-22(25(11-16)29(39)40)28-23-9-4-19(37)12-26(23)43-27-13-20(38)5-10-24(27)28/h1-13,15,37H,14H2,(H,39,40)(H2,31,41,42)(H2,32,33,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50493327
(CHEMBL1232755)Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(4.62,-11.02,;5.39,-9.69,;6.72,-10.46,;6.16,-8.36,;4.06,-8.92,;2.72,-9.69,;1.39,-8.92,;1.39,-7.38,;.06,-6.61,;.06,-5.07,;-1.28,-4.3,;-1.28,-2.76,;.06,-1.99,;-2.61,-1.99,;-2.61,-.45,;-3.95,.32,;-3.95,1.86,;-2.61,2.63,;-1.28,1.86,;-1.28,.32,;.06,2.63,;.96,3.87,;1.39,1.86,;-2.61,4.17,;-1.28,4.94,;.06,4.17,;1.39,4.94,;1.39,6.48,;2.72,7.25,;.06,7.25,;-1.28,6.48,;-2.61,7.25,;-3.95,6.48,;-5.28,7.25,;-6.61,6.48,;-7.95,7.25,;-6.61,4.94,;-5.28,4.17,;-3.95,4.94,;2.72,-6.61,;4.06,-7.38,)| Show InChI InChI=1S/C29H23N3O7S2/c30-41(37,38)20-6-1-16(2-7-20)11-12-31-29(40)32-17-3-8-21(24(13-17)28(35)36)27-22-9-4-18(33)14-25(22)39-26-15-19(34)5-10-23(26)27/h1-10,13-15,33H,11-12H2,(H,35,36)(H2,30,37,38)(H2,31,32,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-14 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50500056
(CHEMBL3741011)Show SMILES NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(-2.69,18.17,;-2.69,16.94,;-3.75,17.56,;-1.62,17.56,;-2.69,15.4,;-4.02,14.63,;-4.02,13.09,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-2.4,7.85,;-0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-1.35,13.09,;-1.35,14.63,)| Show InChI InChI=1S/C28H21N3O7S2/c29-40(36,37)19-6-1-15(2-7-19)14-30-28(39)31-16-3-8-20(23(11-16)27(34)35)26-21-9-4-17(32)12-24(21)38-25-13-18(33)5-10-22(25)26/h1-13,32H,14H2,(H,34,35)(H2,29,36,37)(H2,30,31,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50500058
(CHEMBL3741975)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nn1 |(-7.43,20.89,;-6.79,19.84,;-8.02,19.8,;-6.2,20.93,;-5.98,18.53,;-6.7,17.17,;-5.9,15.86,;-4.36,15.91,;-3.63,17.27,;-4.44,18.58,;-3.45,14.67,;-3.93,13.2,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-2.4,7.85,;-0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-1.44,13.2,;-1.91,14.67,)| Show InChI InChI=1S/C30H22N6O7S2/c31-45(41,42)21-6-2-18(3-7-21)36-15-17(34-35-36)14-32-30(44)33-16-1-8-22(25(11-16)29(39)40)28-23-9-4-19(37)12-26(23)43-27-13-20(38)5-10-24(27)28/h1-13,15,37H,14H2,(H,39,40)(H2,31,41,42)(H2,32,33,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50500057
(CHEMBL3740484)Show SMILES [Cl-].CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(nn4)-c4cccc(c4)S(N)(=O)=O)cc3C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |(9.24,9.1,;-5.33,-2.78,;-5.33,-1.54,;-6.4,-.93,;-4,-.77,;-4,.77,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;-1.33,3.85,;-1.33,5.39,;0,6.16,;-0,7.7,;-1.34,8.47,;-2.4,7.85,;-1.34,10.01,;-2.68,10.78,;-2.68,12.32,;-3.93,13.2,;-3.45,14.67,;-1.91,14.67,;-1.44,13.2,;-4.36,15.91,;-5.9,15.86,;-6.7,17.17,;-5.98,18.53,;-4.44,18.58,;-3.63,17.27,;-3.71,19.93,;-3.12,21.02,;-4.35,20.98,;-2.47,19.97,;1.34,5.39,;1.34,3.85,;2.67,3.09,;2.68,2.06,;3.74,3.7,;1.31,.77,;2.67,1.54,;4,.77,;4,-.77,;2.67,-1.54,;1.31,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;5.34,-1.54,;5.34,-2.77,;6.4,-.92,)| Show InChI InChI=1S/C34H32N8O5S2/c1-40(2)22-9-12-27-30(16-22)47-31-17-23(41(3)4)10-13-28(31)32(27)26-11-8-20(14-29(26)33(43)44)37-34(48)36-18-21-19-42(39-38-21)24-6-5-7-25(15-24)49(35,45)46/h5-17,19H,18H2,1-4H3,(H4,35,36,43,44,45,46,48)/p+1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50500058
(CHEMBL3741975)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nn1 |(-7.43,20.89,;-6.79,19.84,;-8.02,19.8,;-6.2,20.93,;-5.98,18.53,;-6.7,17.17,;-5.9,15.86,;-4.36,15.91,;-3.63,17.27,;-4.44,18.58,;-3.45,14.67,;-3.93,13.2,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-2.4,7.85,;-0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-1.44,13.2,;-1.91,14.67,)| Show InChI InChI=1S/C30H22N6O7S2/c31-45(41,42)21-6-2-18(3-7-21)36-15-17(34-35-36)14-32-30(44)33-16-1-8-22(25(11-16)29(39)40)28-23-9-4-19(37)12-26(23)43-27-13-20(38)5-10-24(27)28/h1-13,15,37H,14H2,(H,39,40)(H2,31,41,42)(H2,32,33,44) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-14 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50500059
(CHEMBL3740300)Show SMILES NS(=O)(=O)c1cccc(c1)-n1cc(CNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nn1 |(-3.12,21.02,;-3.71,19.93,;-4.35,20.98,;-2.47,19.97,;-4.44,18.58,;-5.98,18.53,;-6.7,17.17,;-5.9,15.86,;-4.36,15.91,;-3.63,17.27,;-3.45,14.67,;-3.93,13.2,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-2.4,7.85,;-0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-1.44,13.2,;-1.91,14.67,)| Show InChI InChI=1S/C30H22N6O7S2/c31-45(41,42)21-3-1-2-18(11-21)36-15-17(34-35-36)14-32-30(44)33-16-4-7-22(25(10-16)29(39)40)28-23-8-5-19(37)12-26(23)43-27-13-20(38)6-9-24(27)28/h1-13,15,37H,14H2,(H,39,40)(H2,31,41,42)(H2,32,33,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50493327
(CHEMBL1232755)Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(4.62,-11.02,;5.39,-9.69,;6.72,-10.46,;6.16,-8.36,;4.06,-8.92,;2.72,-9.69,;1.39,-8.92,;1.39,-7.38,;.06,-6.61,;.06,-5.07,;-1.28,-4.3,;-1.28,-2.76,;.06,-1.99,;-2.61,-1.99,;-2.61,-.45,;-3.95,.32,;-3.95,1.86,;-2.61,2.63,;-1.28,1.86,;-1.28,.32,;.06,2.63,;.96,3.87,;1.39,1.86,;-2.61,4.17,;-1.28,4.94,;.06,4.17,;1.39,4.94,;1.39,6.48,;2.72,7.25,;.06,7.25,;-1.28,6.48,;-2.61,7.25,;-3.95,6.48,;-5.28,7.25,;-6.61,6.48,;-7.95,7.25,;-6.61,4.94,;-5.28,4.17,;-3.95,4.94,;2.72,-6.61,;4.06,-7.38,)| Show InChI InChI=1S/C29H23N3O7S2/c30-41(37,38)20-6-1-16(2-7-20)11-12-31-29(40)32-17-3-8-21(24(13-17)28(35)36)27-22-9-4-18(33)14-25(22)39-26-15-19(34)5-10-23(26)27/h1-10,13-15,33H,11-12H2,(H,35,36)(H2,30,37,38)(H2,31,32,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50500057
(CHEMBL3740484)Show SMILES [Cl-].CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(nn4)-c4cccc(c4)S(N)(=O)=O)cc3C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |(9.24,9.1,;-5.33,-2.78,;-5.33,-1.54,;-6.4,-.93,;-4,-.77,;-4,.77,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;-1.33,3.85,;-1.33,5.39,;0,6.16,;-0,7.7,;-1.34,8.47,;-2.4,7.85,;-1.34,10.01,;-2.68,10.78,;-2.68,12.32,;-3.93,13.2,;-3.45,14.67,;-1.91,14.67,;-1.44,13.2,;-4.36,15.91,;-5.9,15.86,;-6.7,17.17,;-5.98,18.53,;-4.44,18.58,;-3.63,17.27,;-3.71,19.93,;-3.12,21.02,;-4.35,20.98,;-2.47,19.97,;1.34,5.39,;1.34,3.85,;2.67,3.09,;2.68,2.06,;3.74,3.7,;1.31,.77,;2.67,1.54,;4,.77,;4,-.77,;2.67,-1.54,;1.31,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;5.34,-1.54,;5.34,-2.77,;6.4,-.92,)| Show InChI InChI=1S/C34H32N8O5S2/c1-40(2)22-9-12-27-30(16-22)47-31-17-23(41(3)4)10-13-28(31)32(27)26-11-8-20(14-29(26)33(43)44)37-34(48)36-18-21-19-42(39-38-21)24-6-5-7-25(15-24)49(35,45)46/h5-17,19H,18H2,1-4H3,(H4,35,36,43,44,45,46,48)/p+1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50500056
(CHEMBL3741011)Show SMILES NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(-2.69,18.17,;-2.69,16.94,;-3.75,17.56,;-1.62,17.56,;-2.69,15.4,;-4.02,14.63,;-4.02,13.09,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-2.4,7.85,;-0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-1.35,13.09,;-1.35,14.63,)| Show InChI InChI=1S/C28H21N3O7S2/c29-40(36,37)19-6-1-15(2-7-19)14-30-28(39)31-16-3-8-20(23(11-16)27(34)35)26-21-9-4-17(32)12-24(21)38-25-13-18(33)5-10-22(25)26/h1-13,32H,14H2,(H,34,35)(H2,29,36,37)(H2,30,31,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50500057
(CHEMBL3740484)Show SMILES [Cl-].CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(nn4)-c4cccc(c4)S(N)(=O)=O)cc3C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |(9.24,9.1,;-5.33,-2.78,;-5.33,-1.54,;-6.4,-.93,;-4,-.77,;-4,.77,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;-1.33,3.85,;-1.33,5.39,;0,6.16,;-0,7.7,;-1.34,8.47,;-2.4,7.85,;-1.34,10.01,;-2.68,10.78,;-2.68,12.32,;-3.93,13.2,;-3.45,14.67,;-1.91,14.67,;-1.44,13.2,;-4.36,15.91,;-5.9,15.86,;-6.7,17.17,;-5.98,18.53,;-4.44,18.58,;-3.63,17.27,;-3.71,19.93,;-3.12,21.02,;-4.35,20.98,;-2.47,19.97,;1.34,5.39,;1.34,3.85,;2.67,3.09,;2.68,2.06,;3.74,3.7,;1.31,.77,;2.67,1.54,;4,.77,;4,-.77,;2.67,-1.54,;1.31,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;5.34,-1.54,;5.34,-2.77,;6.4,-.92,)| Show InChI InChI=1S/C34H32N8O5S2/c1-40(2)22-9-12-27-30(16-22)47-31-17-23(41(3)4)10-13-28(31)32(27)26-11-8-20(14-29(26)33(43)44)37-34(48)36-18-21-19-42(39-38-21)24-6-5-7-25(15-24)49(35,45)46/h5-17,19H,18H2,1-4H3,(H4,35,36,43,44,45,46,48)/p+1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-14 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50493327
(CHEMBL1232755)Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(4.62,-11.02,;5.39,-9.69,;6.72,-10.46,;6.16,-8.36,;4.06,-8.92,;2.72,-9.69,;1.39,-8.92,;1.39,-7.38,;.06,-6.61,;.06,-5.07,;-1.28,-4.3,;-1.28,-2.76,;.06,-1.99,;-2.61,-1.99,;-2.61,-.45,;-3.95,.32,;-3.95,1.86,;-2.61,2.63,;-1.28,1.86,;-1.28,.32,;.06,2.63,;.96,3.87,;1.39,1.86,;-2.61,4.17,;-1.28,4.94,;.06,4.17,;1.39,4.94,;1.39,6.48,;2.72,7.25,;.06,7.25,;-1.28,6.48,;-2.61,7.25,;-3.95,6.48,;-5.28,7.25,;-6.61,6.48,;-7.95,7.25,;-6.61,4.94,;-5.28,4.17,;-3.95,4.94,;2.72,-6.61,;4.06,-7.38,)| Show InChI InChI=1S/C29H23N3O7S2/c30-41(37,38)20-6-1-16(2-7-20)11-12-31-29(40)32-17-3-8-21(24(13-17)28(35)36)27-22-9-4-18(33)14-25(22)39-26-15-19(34)5-10-23(26)27/h1-10,13-15,33H,11-12H2,(H,35,36)(H2,30,37,38)(H2,31,32,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-14 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50500058
(CHEMBL3741975)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nn1 |(-7.43,20.89,;-6.79,19.84,;-8.02,19.8,;-6.2,20.93,;-5.98,18.53,;-6.7,17.17,;-5.9,15.86,;-4.36,15.91,;-3.63,17.27,;-4.44,18.58,;-3.45,14.67,;-3.93,13.2,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-2.4,7.85,;-0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-1.44,13.2,;-1.91,14.67,)| Show InChI InChI=1S/C30H22N6O7S2/c31-45(41,42)21-6-2-18(3-7-21)36-15-17(34-35-36)14-32-30(44)33-16-1-8-22(25(11-16)29(39)40)28-23-9-4-19(37)12-26(23)43-27-13-20(38)5-10-24(27)28/h1-13,15,37H,14H2,(H,39,40)(H2,31,41,42)(H2,32,33,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50500059
(CHEMBL3740300)Show SMILES NS(=O)(=O)c1cccc(c1)-n1cc(CNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nn1 |(-3.12,21.02,;-3.71,19.93,;-4.35,20.98,;-2.47,19.97,;-4.44,18.58,;-5.98,18.53,;-6.7,17.17,;-5.9,15.86,;-4.36,15.91,;-3.63,17.27,;-3.45,14.67,;-3.93,13.2,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-2.4,7.85,;-0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-1.44,13.2,;-1.91,14.67,)| Show InChI InChI=1S/C30H22N6O7S2/c31-45(41,42)21-3-1-2-18(11-21)36-15-17(34-35-36)14-32-30(44)33-16-4-7-22(25(10-16)29(39)40)28-23-8-5-19(37)12-26(23)43-27-13-20(38)6-9-24(27)28/h1-13,15,37H,14H2,(H,39,40)(H2,31,41,42)(H2,32,33,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50500056
(CHEMBL3741011)Show SMILES NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(-2.69,18.17,;-2.69,16.94,;-3.75,17.56,;-1.62,17.56,;-2.69,15.4,;-4.02,14.63,;-4.02,13.09,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-2.4,7.85,;-0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-1.35,13.09,;-1.35,14.63,)| Show InChI InChI=1S/C28H21N3O7S2/c29-40(36,37)19-6-1-15(2-7-19)14-30-28(39)31-16-3-8-20(23(11-16)27(34)35)26-21-9-4-17(32)12-24(21)38-25-13-18(33)5-10-22(25)26/h1-13,32H,14H2,(H,34,35)(H2,29,36,37)(H2,30,31,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-14 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50500056
(CHEMBL3741011)Show SMILES NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(-2.69,18.17,;-2.69,16.94,;-3.75,17.56,;-1.62,17.56,;-2.69,15.4,;-4.02,14.63,;-4.02,13.09,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-2.4,7.85,;-0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-1.35,13.09,;-1.35,14.63,)| Show InChI InChI=1S/C28H21N3O7S2/c29-40(36,37)19-6-1-15(2-7-19)14-30-28(39)31-16-3-8-20(23(11-16)27(34)35)26-21-9-4-17(32)12-24(21)38-25-13-18(33)5-10-22(25)26/h1-13,32H,14H2,(H,34,35)(H2,29,36,37)(H2,30,31,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50493327
(CHEMBL1232755)Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(4.62,-11.02,;5.39,-9.69,;6.72,-10.46,;6.16,-8.36,;4.06,-8.92,;2.72,-9.69,;1.39,-8.92,;1.39,-7.38,;.06,-6.61,;.06,-5.07,;-1.28,-4.3,;-1.28,-2.76,;.06,-1.99,;-2.61,-1.99,;-2.61,-.45,;-3.95,.32,;-3.95,1.86,;-2.61,2.63,;-1.28,1.86,;-1.28,.32,;.06,2.63,;.96,3.87,;1.39,1.86,;-2.61,4.17,;-1.28,4.94,;.06,4.17,;1.39,4.94,;1.39,6.48,;2.72,7.25,;.06,7.25,;-1.28,6.48,;-2.61,7.25,;-3.95,6.48,;-5.28,7.25,;-6.61,6.48,;-7.95,7.25,;-6.61,4.94,;-5.28,4.17,;-3.95,4.94,;2.72,-6.61,;4.06,-7.38,)| Show InChI InChI=1S/C29H23N3O7S2/c30-41(37,38)20-6-1-16(2-7-20)11-12-31-29(40)32-17-3-8-21(24(13-17)28(35)36)27-22-9-4-18(33)14-25(22)39-26-15-19(34)5-10-23(26)27/h1-10,13-15,33H,11-12H2,(H,35,36)(H2,30,37,38)(H2,31,32,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50500059
(CHEMBL3740300)Show SMILES NS(=O)(=O)c1cccc(c1)-n1cc(CNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nn1 |(-3.12,21.02,;-3.71,19.93,;-4.35,20.98,;-2.47,19.97,;-4.44,18.58,;-5.98,18.53,;-6.7,17.17,;-5.9,15.86,;-4.36,15.91,;-3.63,17.27,;-3.45,14.67,;-3.93,13.2,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-2.4,7.85,;-0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-1.44,13.2,;-1.91,14.67,)| Show InChI InChI=1S/C30H22N6O7S2/c31-45(41,42)21-3-1-2-18(11-21)36-15-17(34-35-36)14-32-30(44)33-16-4-7-22(25(10-16)29(39)40)28-23-8-5-19(37)12-26(23)43-27-13-20(38)6-9-24(27)28/h1-13,15,37H,14H2,(H,39,40)(H2,31,41,42)(H2,32,33,44) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-14 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50500057
(CHEMBL3740484)Show SMILES [Cl-].CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(nn4)-c4cccc(c4)S(N)(=O)=O)cc3C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |(9.24,9.1,;-5.33,-2.78,;-5.33,-1.54,;-6.4,-.93,;-4,-.77,;-4,.77,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;-1.33,3.85,;-1.33,5.39,;0,6.16,;-0,7.7,;-1.34,8.47,;-2.4,7.85,;-1.34,10.01,;-2.68,10.78,;-2.68,12.32,;-3.93,13.2,;-3.45,14.67,;-1.91,14.67,;-1.44,13.2,;-4.36,15.91,;-5.9,15.86,;-6.7,17.17,;-5.98,18.53,;-4.44,18.58,;-3.63,17.27,;-3.71,19.93,;-3.12,21.02,;-4.35,20.98,;-2.47,19.97,;1.34,5.39,;1.34,3.85,;2.67,3.09,;2.68,2.06,;3.74,3.7,;1.31,.77,;2.67,1.54,;4,.77,;4,-.77,;2.67,-1.54,;1.31,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;5.34,-1.54,;5.34,-2.77,;6.4,-.92,)| Show InChI InChI=1S/C34H32N8O5S2/c1-40(2)22-9-12-27-30(16-22)47-31-17-23(41(3)4)10-13-28(31)32(27)26-11-8-20(14-29(26)33(43)44)37-34(48)36-18-21-19-42(39-38-21)24-6-5-7-25(15-24)49(35,45)46/h5-17,19H,18H2,1-4H3,(H4,35,36,43,44,45,46,48)/p+1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50500059
(CHEMBL3740300)Show SMILES NS(=O)(=O)c1cccc(c1)-n1cc(CNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nn1 |(-3.12,21.02,;-3.71,19.93,;-4.35,20.98,;-2.47,19.97,;-4.44,18.58,;-5.98,18.53,;-6.7,17.17,;-5.9,15.86,;-4.36,15.91,;-3.63,17.27,;-3.45,14.67,;-3.93,13.2,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-2.4,7.85,;-0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-1.44,13.2,;-1.91,14.67,)| Show InChI InChI=1S/C30H22N6O7S2/c31-45(41,42)21-3-1-2-18(11-21)36-15-17(34-35-36)14-32-30(44)33-16-4-7-22(25(10-16)29(39)40)28-23-8-5-19(37)12-26(23)43-27-13-20(38)6-9-24(27)28/h1-13,15,37H,14H2,(H,39,40)(H2,31,41,42)(H2,32,33,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 127 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50493327
(CHEMBL1232755)Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(4.62,-11.02,;5.39,-9.69,;6.72,-10.46,;6.16,-8.36,;4.06,-8.92,;2.72,-9.69,;1.39,-8.92,;1.39,-7.38,;.06,-6.61,;.06,-5.07,;-1.28,-4.3,;-1.28,-2.76,;.06,-1.99,;-2.61,-1.99,;-2.61,-.45,;-3.95,.32,;-3.95,1.86,;-2.61,2.63,;-1.28,1.86,;-1.28,.32,;.06,2.63,;.96,3.87,;1.39,1.86,;-2.61,4.17,;-1.28,4.94,;.06,4.17,;1.39,4.94,;1.39,6.48,;2.72,7.25,;.06,7.25,;-1.28,6.48,;-2.61,7.25,;-3.95,6.48,;-5.28,7.25,;-6.61,6.48,;-7.95,7.25,;-6.61,4.94,;-5.28,4.17,;-3.95,4.94,;2.72,-6.61,;4.06,-7.38,)| Show InChI InChI=1S/C29H23N3O7S2/c30-41(37,38)20-6-1-16(2-7-20)11-12-31-29(40)32-17-3-8-21(24(13-17)28(35)36)27-22-9-4-18(33)14-25(22)39-26-15-19(34)5-10-23(26)27/h1-10,13-15,33H,11-12H2,(H,35,36)(H2,30,37,38)(H2,31,32,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50500056
(CHEMBL3741011)Show SMILES NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(-2.69,18.17,;-2.69,16.94,;-3.75,17.56,;-1.62,17.56,;-2.69,15.4,;-4.02,14.63,;-4.02,13.09,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-2.4,7.85,;-0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-1.35,13.09,;-1.35,14.63,)| Show InChI InChI=1S/C28H21N3O7S2/c29-40(36,37)19-6-1-15(2-7-19)14-30-28(39)31-16-3-8-20(23(11-16)27(34)35)26-21-9-4-17(32)12-24(21)38-25-13-18(33)5-10-22(25)26/h1-13,32H,14H2,(H,34,35)(H2,29,36,37)(H2,30,31,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50500058
(CHEMBL3741975)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nn1 |(-7.43,20.89,;-6.79,19.84,;-8.02,19.8,;-6.2,20.93,;-5.98,18.53,;-6.7,17.17,;-5.9,15.86,;-4.36,15.91,;-3.63,17.27,;-4.44,18.58,;-3.45,14.67,;-3.93,13.2,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-2.4,7.85,;-0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-1.44,13.2,;-1.91,14.67,)| Show InChI InChI=1S/C30H22N6O7S2/c31-45(41,42)21-6-2-18(3-7-21)36-15-17(34-35-36)14-32-30(44)33-16-1-8-22(25(11-16)29(39)40)28-23-9-4-19(37)12-26(23)43-27-13-20(38)5-10-24(27)28/h1-13,15,37H,14H2,(H,39,40)(H2,31,41,42)(H2,32,33,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 2.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50500057
(CHEMBL3740484)Show SMILES [Cl-].CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(nn4)-c4cccc(c4)S(N)(=O)=O)cc3C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |(9.24,9.1,;-5.33,-2.78,;-5.33,-1.54,;-6.4,-.93,;-4,-.77,;-4,.77,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;-1.33,3.85,;-1.33,5.39,;0,6.16,;-0,7.7,;-1.34,8.47,;-2.4,7.85,;-1.34,10.01,;-2.68,10.78,;-2.68,12.32,;-3.93,13.2,;-3.45,14.67,;-1.91,14.67,;-1.44,13.2,;-4.36,15.91,;-5.9,15.86,;-6.7,17.17,;-5.98,18.53,;-4.44,18.58,;-3.63,17.27,;-3.71,19.93,;-3.12,21.02,;-4.35,20.98,;-2.47,19.97,;1.34,5.39,;1.34,3.85,;2.67,3.09,;2.68,2.06,;3.74,3.7,;1.31,.77,;2.67,1.54,;4,.77,;4,-.77,;2.67,-1.54,;1.31,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;5.34,-1.54,;5.34,-2.77,;6.4,-.92,)| Show InChI InChI=1S/C34H32N8O5S2/c1-40(2)22-9-12-27-30(16-22)47-31-17-23(41(3)4)10-13-28(31)32(27)26-11-8-20(14-29(26)33(43)44)37-34(48)36-18-21-19-42(39-38-21)24-6-5-7-25(15-24)49(35,45)46/h5-17,19H,18H2,1-4H3,(H4,35,36,43,44,45,46,48)/p+1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50500059
(CHEMBL3740300)Show SMILES NS(=O)(=O)c1cccc(c1)-n1cc(CNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nn1 |(-3.12,21.02,;-3.71,19.93,;-4.35,20.98,;-2.47,19.97,;-4.44,18.58,;-5.98,18.53,;-6.7,17.17,;-5.9,15.86,;-4.36,15.91,;-3.63,17.27,;-3.45,14.67,;-3.93,13.2,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-2.4,7.85,;-0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-1.44,13.2,;-1.91,14.67,)| Show InChI InChI=1S/C30H22N6O7S2/c31-45(41,42)21-3-1-2-18(11-21)36-15-17(34-35-36)14-32-30(44)33-16-4-7-22(25(10-16)29(39)40)28-23-8-5-19(37)12-26(23)43-27-13-20(38)6-9-24(27)28/h1-13,15,37H,14H2,(H,39,40)(H2,31,41,42)(H2,32,33,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
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