Found 332 hits with Last Name = 'khloya' and Initial = 'p' 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)) | BDBM50107375
(CHEMBL3601459)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:4| Show InChI InChI=1S/C21H20ClN5O3S/c1-13-20(19-12-18(25-26(19)14(2)28)15-6-4-3-5-7-15)21(22)27(24-13)16-8-10-17(11-9-16)31(23,29)30/h3-11,19H,12H2,1-2H3,(H2,23,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107371
(CHEMBL3601463)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C21H19Cl2N5O3S/c1-12-20(21(23)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(22)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107370
(CHEMBL3601464)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1 |c:4| Show InChI InChI=1S/C21H19BrClN5O3S/c1-12-20(21(23)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(22)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107340
(CHEMBL3601395)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H22BrClN6O4S2/c1-15-24(25(27)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(26)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107374
(CHEMBL3601460)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C22H22ClN5O3S/c1-13-4-6-16(7-5-13)19-12-20(27(26-19)15(3)29)21-14(2)25-28(22(21)23)17-8-10-18(11-9-17)32(24,30)31/h4-11,20H,12H2,1-3H3,(H2,24,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107373
(CHEMBL3601461)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)C(C)=O |t:9| Show InChI InChI=1S/C22H22ClN5O4S/c1-13-21(22(23)28(25-13)16-6-10-18(11-7-16)33(24,30)31)20-12-19(26-27(20)14(2)29)15-4-8-17(32-3)9-5-15/h4-11,20H,12H2,1-3H3,(H2,24,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107372
(CHEMBL3601462)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1 |c:4| Show InChI InChI=1S/C21H19ClFN5O3S/c1-12-20(21(22)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(23)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107375
(CHEMBL3601459)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:4| Show InChI InChI=1S/C21H20ClN5O3S/c1-13-20(19-12-18(25-26(19)14(2)28)15-6-4-3-5-7-15)21(22)27(24-13)16-8-10-17(11-9-16)31(23,29)30/h3-11,19H,12H2,1-2H3,(H2,23,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107368
(CHEMBL3601391)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C26H25ClN6O4S2/c1-16-3-5-18(6-4-16)23-15-24(32(31-23)19-7-11-21(12-8-19)38(28,34)35)25-17(2)30-33(26(25)27)20-9-13-22(14-10-20)39(29,36)37/h3-14,24H,15H2,1-2H3,(H2,28,34,35)(H2,29,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107373
(CHEMBL3601461)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)C(C)=O |t:9| Show InChI InChI=1S/C22H22ClN5O4S/c1-13-21(22(23)28(25-13)16-6-10-18(11-7-16)33(24,30)31)20-12-19(26-27(20)14(2)29)15-4-8-17(32-3)9-5-15/h4-11,20H,12H2,1-3H3,(H2,24,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496157
(CHEMBL3121772)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(n[nH]c1=S)-c1ccc(Br)cc1 Show InChI InChI=1S/C14H11BrN4O2S2/c15-10-3-1-9(2-4-10)13-17-18-14(22)19(13)11-5-7-12(8-6-11)23(16,20)21/h1-8H,(H,18,22)(H2,16,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human transmembrane carbonic anhydrase 12 by stopped flow CO2 hydration assay |
Bioorg Med Chem 22: 1873-82 (2014)
Article DOI: 10.1016/j.bmc.2014.01.055
BindingDB Entry DOI: 10.7270/Q2W098W2 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107363
(CHEMBL3601393)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H22ClFN6O4S2/c1-15-24(25(26)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(27)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107367
(CHEMBL3601392)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C26H25ClN6O5S2/c1-16-25(26(27)33(30-16)19-7-13-22(14-8-19)40(29,36)37)24-15-23(17-3-9-20(38-2)10-4-17)31-32(24)18-5-11-21(12-6-18)39(28,34)35/h3-14,24H,15H2,1-2H3,(H2,28,34,35)(H2,29,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107372
(CHEMBL3601462)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1 |c:4| Show InChI InChI=1S/C21H19ClFN5O3S/c1-12-20(21(22)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(23)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496541
(CHEMBL3126811)Show SMILES NC(=O)c1cn(nc1-c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H13FN4O3S/c17-11-3-1-10(2-4-11)15-14(16(18)22)9-21(20-15)12-5-7-13(8-6-12)25(19,23)24/h1-9H,(H2,18,22)(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay |
Eur J Med Chem 76: 284-90 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.023
BindingDB Entry DOI: 10.7270/Q2833W01 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50496545
(CHEMBL3126804)Show SMILES Cc1ccc(cc1)-c1nn(cc1C(=O)NN)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H17N5O3S/c1-11-2-4-12(5-3-11)16-15(17(23)20-18)10-22(21-16)13-6-8-14(9-7-13)26(19,24)25/h2-10H,18H2,1H3,(H,20,23)(H2,19,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay |
Eur J Med Chem 76: 284-90 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.023
BindingDB Entry DOI: 10.7270/Q2833W01 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50496546
(CHEMBL3126813)Show SMILES NC(=O)c1cn(nc1-c1cccs1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H12N4O3S2/c15-14(19)11-8-18(17-13(11)12-2-1-7-22-12)9-3-5-10(6-4-9)23(16,20)21/h1-8H,(H2,15,19)(H2,16,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay |
Eur J Med Chem 76: 284-90 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.023
BindingDB Entry DOI: 10.7270/Q2833W01 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50496541
(CHEMBL3126811)Show SMILES NC(=O)c1cn(nc1-c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H13FN4O3S/c17-11-3-1-10(2-4-11)15-14(16(18)22)9-21(20-15)12-5-7-13(8-6-12)25(19,23)24/h1-9H,(H2,18,22)(H2,19,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay |
Eur J Med Chem 76: 284-90 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.023
BindingDB Entry DOI: 10.7270/Q2833W01 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50037239
(CHEMBL3352855)Show SMILES Cc1ccc(cc1)-c1nn(cc1C(O)=O)-c1nc2ccc(cc2s1)S(N)(=O)=O Show InChI InChI=1S/C18H14N4O4S2/c1-10-2-4-11(5-3-10)16-13(17(23)24)9-22(21-16)18-20-14-7-6-12(28(19,25)26)8-15(14)27-18/h2-9H,1H3,(H,23,24)(H2,19,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method |
Bioorg Med Chem 22: 6945-52 (2014)
Article DOI: 10.1016/j.bmc.2014.10.018
BindingDB Entry DOI: 10.7270/Q20V8FCK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50037243
(CHEMBL3356263)Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccccc1 Show InChI InChI=1S/C17H12N4O4S2/c18-27(24,25)11-6-7-13-14(8-11)26-17(19-13)21-9-12(16(22)23)15(20-21)10-4-2-1-3-5-10/h1-9H,(H,22,23)(H2,18,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method |
Bioorg Med Chem 22: 6945-52 (2014)
Article DOI: 10.1016/j.bmc.2014.10.018
BindingDB Entry DOI: 10.7270/Q20V8FCK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50037237
(CHEMBL3356265)Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C17H11FN4O4S2/c18-10-3-1-9(2-4-10)15-12(16(23)24)8-22(21-15)17-20-13-6-5-11(28(19,25)26)7-14(13)27-17/h1-8H,(H,23,24)(H2,19,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method |
Bioorg Med Chem 22: 6945-52 (2014)
Article DOI: 10.1016/j.bmc.2014.10.018
BindingDB Entry DOI: 10.7270/Q20V8FCK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM91678
(Pyrazolyl benzenesulfonamide derivative, 7a)Show SMILES NC(=O)c1cn(nc1-c1ccccc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H14N4O3S/c17-16(21)14-10-20(19-15(14)11-4-2-1-3-5-11)12-6-8-13(9-7-12)24(18,22)23/h1-10H,(H2,17,21)(H2,18,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay |
Eur J Med Chem 76: 284-90 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.023
BindingDB Entry DOI: 10.7270/Q2833W01 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50037238
(CHEMBL3356264)Show SMILES COc1ccc(cc1)-c1nn(cc1C(O)=O)-c1nc2ccc(cc2s1)S(N)(=O)=O Show InChI InChI=1S/C18H14N4O5S2/c1-27-11-4-2-10(3-5-11)16-13(17(23)24)9-22(21-16)18-20-14-7-6-12(29(19,25)26)8-15(14)28-18/h2-9H,1H3,(H,23,24)(H2,19,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method |
Bioorg Med Chem 22: 6945-52 (2014)
Article DOI: 10.1016/j.bmc.2014.10.018
BindingDB Entry DOI: 10.7270/Q20V8FCK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50037235
(CHEMBL3356266)Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H11ClN4O4S2/c18-10-3-1-9(2-4-10)15-12(16(23)24)8-22(21-15)17-20-13-6-5-11(28(19,25)26)7-14(13)27-17/h1-8H,(H,23,24)(H2,19,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method |
Bioorg Med Chem 22: 6945-52 (2014)
Article DOI: 10.1016/j.bmc.2014.10.018
BindingDB Entry DOI: 10.7270/Q20V8FCK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50496143
(CHEMBL3121770)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(n[nH]c1=S)-c1ccc(F)cc1 Show InChI InChI=1S/C14H11FN4O2S2/c15-10-3-1-9(2-4-10)13-17-18-14(22)19(13)11-5-7-12(8-6-11)23(16,20)21/h1-8H,(H,18,22)(H2,16,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human transmembrane carbonic anhydrase 9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 22: 1873-82 (2014)
Article DOI: 10.1016/j.bmc.2014.01.055
BindingDB Entry DOI: 10.7270/Q2W098W2 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50496533
(CHEMBL3126821)Show SMILES NNC(=O)c1cn(nc1-c1ccccc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H15N5O3S/c17-19-16(22)14-10-21(20-15(14)11-4-2-1-3-5-11)12-6-8-13(9-7-12)25(18,23)24/h1-10H,17H2,(H,19,22)(H2,18,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay |
Eur J Med Chem 76: 284-90 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.023
BindingDB Entry DOI: 10.7270/Q2833W01 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496154
(CHEMBL3121758)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nnc2SCC(=Nn12)c1ccc(Br)cc1 |c:17| Show InChI InChI=1S/C16H12BrN5O2S2/c17-12-5-1-10(2-6-12)14-9-25-16-20-19-15(22(16)21-14)11-3-7-13(8-4-11)26(18,23)24/h1-8H,9H2,(H2,18,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human transmembrane carbonic anhydrase 12 by stopped flow CO2 hydration assay |
Bioorg Med Chem 22: 1873-82 (2014)
Article DOI: 10.1016/j.bmc.2014.01.055
BindingDB Entry DOI: 10.7270/Q2W098W2 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107363
(CHEMBL3601393)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H22ClFN6O4S2/c1-15-24(25(26)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(27)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107342
(CHEMBL3601394)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H22Cl2N6O4S2/c1-15-24(25(27)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(26)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM91679
(Pyrazolyl benzenesulfonamide derivative, 7b)Show SMILES Cc1ccc(cc1)-c1nn(cc1C(N)=O)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H16N4O3S/c1-11-2-4-12(5-3-11)16-15(17(18)22)10-21(20-16)13-6-8-14(9-7-13)25(19,23)24/h2-10H,1H3,(H2,18,22)(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay |
Eur J Med Chem 76: 284-90 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.023
BindingDB Entry DOI: 10.7270/Q2833W01 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496158
(CHEMBL3121771)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(n[nH]c1=S)-c1ccc(Cl)cc1 Show InChI InChI=1S/C14H11ClN4O2S2/c15-10-3-1-9(2-4-10)13-17-18-14(22)19(13)11-5-7-12(8-6-11)23(16,20)21/h1-8H,(H,18,22)(H2,16,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human transmembrane carbonic anhydrase 12 by stopped flow CO2 hydration assay |
Bioorg Med Chem 22: 1873-82 (2014)
Article DOI: 10.1016/j.bmc.2014.01.055
BindingDB Entry DOI: 10.7270/Q2W098W2 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50496154
(CHEMBL3121758)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nnc2SCC(=Nn12)c1ccc(Br)cc1 |c:17| Show InChI InChI=1S/C16H12BrN5O2S2/c17-12-5-1-10(2-6-12)14-9-25-16-20-19-15(22(16)21-14)11-3-7-13(8-4-11)26(18,23)24/h1-8H,9H2,(H2,18,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human transmembrane carbonic anhydrase 9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 22: 1873-82 (2014)
Article DOI: 10.1016/j.bmc.2014.01.055
BindingDB Entry DOI: 10.7270/Q2W098W2 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50037244
(CHEMBL3356262)Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H11N5O5S2/c18-29(26,27)13-5-6-14-15(7-13)28-17(19-14)21-8-11(9-23)16(20-21)10-1-3-12(4-2-10)22(24)25/h1-9H,(H2,18,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method |
Bioorg Med Chem 22: 6945-52 (2014)
Article DOI: 10.1016/j.bmc.2014.10.018
BindingDB Entry DOI: 10.7270/Q20V8FCK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496149
(CHEMBL3121755)Show SMILES COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C17H15N5O3S2/c1-25-13-6-2-11(3-7-13)15-10-26-17-20-19-16(22(17)21-15)12-4-8-14(9-5-12)27(18,23)24/h2-9H,10H2,1H3,(H2,18,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human transmembrane carbonic anhydrase 12 by stopped flow CO2 hydration assay |
Bioorg Med Chem 22: 1873-82 (2014)
Article DOI: 10.1016/j.bmc.2014.01.055
BindingDB Entry DOI: 10.7270/Q2W098W2 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496546
(CHEMBL3126813)Show SMILES NC(=O)c1cn(nc1-c1cccs1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H12N4O3S2/c15-14(19)11-8-18(17-13(11)12-2-1-7-22-12)9-3-5-10(6-4-9)23(16,20)21/h1-8H,(H2,15,19)(H2,16,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay |
Eur J Med Chem 76: 284-90 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.023
BindingDB Entry DOI: 10.7270/Q2833W01 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50496544
(CHEMBL3126807)Show SMILES NNC(=O)c1cn(nc1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H14ClN5O3S/c17-11-3-1-10(2-4-11)15-14(16(23)20-18)9-22(21-15)12-5-7-13(8-6-12)26(19,24)25/h1-9H,18H2,(H,20,23)(H2,19,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay |
Eur J Med Chem 76: 284-90 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.023
BindingDB Entry DOI: 10.7270/Q2833W01 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107371
(CHEMBL3601463)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C21H19Cl2N5O3S/c1-12-20(21(23)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(22)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107374
(CHEMBL3601460)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C22H22ClN5O3S/c1-13-4-6-16(7-5-13)19-12-20(27(26-19)15(3)29)21-14(2)25-28(22(21)23)17-8-10-18(11-9-17)32(24,30)31/h4-11,20H,12H2,1-3H3,(H2,24,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50496541
(CHEMBL3126811)Show SMILES NC(=O)c1cn(nc1-c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H13FN4O3S/c17-11-3-1-10(2-4-11)15-14(16(18)22)9-21(20-15)12-5-7-13(8-6-12)25(19,23)24/h1-9H,(H2,18,22)(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay |
Eur J Med Chem 76: 284-90 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.023
BindingDB Entry DOI: 10.7270/Q2833W01 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM91679
(Pyrazolyl benzenesulfonamide derivative, 7b)Show SMILES Cc1ccc(cc1)-c1nn(cc1C(N)=O)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H16N4O3S/c1-11-2-4-12(5-3-11)16-15(17(18)22)10-21(20-16)13-6-8-14(9-7-13)25(19,23)24/h2-10H,1H3,(H2,18,22)(H2,19,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay |
Eur J Med Chem 76: 284-90 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.023
BindingDB Entry DOI: 10.7270/Q2833W01 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM91678
(Pyrazolyl benzenesulfonamide derivative, 7a)Show SMILES NC(=O)c1cn(nc1-c1ccccc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H14N4O3S/c17-16(21)14-10-20(19-15(14)11-4-2-1-3-5-11)12-6-8-13(9-7-12)24(18,22)23/h1-10H,(H2,17,21)(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay |
Eur J Med Chem 76: 284-90 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.023
BindingDB Entry DOI: 10.7270/Q2833W01 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50496528
(CHEMBL3126825)Show SMILES NC(=O)c1cn(nc1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H13ClN4O3S/c17-11-3-1-10(2-4-11)15-14(16(18)22)9-21(20-15)12-5-7-13(8-6-12)25(19,23)24/h1-9H,(H2,18,22)(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay |
Eur J Med Chem 76: 284-90 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.023
BindingDB Entry DOI: 10.7270/Q2833W01 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496151
(CHEMBL3121752)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H13N5O4S3/c15-25(20,21)11-5-1-9(2-6-11)13-17-18-14(24)19(13)10-3-7-12(8-4-10)26(16,22)23/h1-8H,(H,18,24)(H2,15,20,21)(H2,16,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human transmembrane carbonic anhydrase 12 by stopped flow CO2 hydration assay |
Bioorg Med Chem 22: 1873-82 (2014)
Article DOI: 10.1016/j.bmc.2014.01.055
BindingDB Entry DOI: 10.7270/Q2W098W2 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496538
(CHEMBL3126820)Show SMILES COC(=O)c1cn(nc1-c1ccc(cc1)[N+]([O-])=O)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H14N4O6S/c1-27-17(22)15-10-20(12-6-8-14(9-7-12)28(18,25)26)19-16(15)11-2-4-13(5-3-11)21(23)24/h2-10H,1H3,(H2,18,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay |
Eur J Med Chem 76: 284-90 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.023
BindingDB Entry DOI: 10.7270/Q2833W01 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496528
(CHEMBL3126825)Show SMILES NC(=O)c1cn(nc1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H13ClN4O3S/c17-11-3-1-10(2-4-11)15-14(16(18)22)9-21(20-15)12-5-7-13(8-6-12)25(19,23)24/h1-9H,(H2,18,22)(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay |
Eur J Med Chem 76: 284-90 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.023
BindingDB Entry DOI: 10.7270/Q2833W01 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496143
(CHEMBL3121770)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(n[nH]c1=S)-c1ccc(F)cc1 Show InChI InChI=1S/C14H11FN4O2S2/c15-10-3-1-9(2-4-10)13-17-18-14(22)19(13)11-5-7-12(8-6-11)23(16,20)21/h1-8H,(H,18,22)(H2,16,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human transmembrane carbonic anhydrase 12 by stopped flow CO2 hydration assay |
Bioorg Med Chem 22: 1873-82 (2014)
Article DOI: 10.1016/j.bmc.2014.01.055
BindingDB Entry DOI: 10.7270/Q2W098W2 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496156
(CHEMBL3121754)Show SMILES Cc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccc(cc1)S(N)(=O)=O |t:8| Show InChI InChI=1S/C17H15N5O2S2/c1-11-2-4-12(5-3-11)15-10-25-17-20-19-16(22(17)21-15)13-6-8-14(9-7-13)26(18,23)24/h2-9H,10H2,1H3,(H2,18,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human transmembrane carbonic anhydrase 12 by stopped flow CO2 hydration assay |
Bioorg Med Chem 22: 1873-82 (2014)
Article DOI: 10.1016/j.bmc.2014.01.055
BindingDB Entry DOI: 10.7270/Q2W098W2 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496159
(CHEMBL3121769)Show SMILES COc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H14N4O3S2/c1-22-12-6-2-10(3-7-12)14-17-18-15(23)19(14)11-4-8-13(9-5-11)24(16,20)21/h2-9H,1H3,(H,18,23)(H2,16,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human transmembrane carbonic anhydrase 12 by stopped flow CO2 hydration assay |
Bioorg Med Chem 22: 1873-82 (2014)
Article DOI: 10.1016/j.bmc.2014.01.055
BindingDB Entry DOI: 10.7270/Q2W098W2 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50496547
(CHEMBL3126824)Show SMILES NC(=O)c1cn(nc1-c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H13BrN4O3S/c17-11-3-1-10(2-4-11)15-14(16(18)22)9-21(20-15)12-5-7-13(8-6-12)25(19,23)24/h1-9H,(H2,18,22)(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay |
Eur J Med Chem 76: 284-90 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.023
BindingDB Entry DOI: 10.7270/Q2833W01 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107370
(CHEMBL3601464)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1 |c:4| Show InChI InChI=1S/C21H19BrClN5O3S/c1-12-20(21(23)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(22)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this
Ligand-Target Pair | |
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