Found 632 hits with Last Name = 'kumari' and Initial = 's' 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 |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50562066
(CHEMBL4756661)Show SMILES CCCCCn1cc(-c2nc(no2)C23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells by competitive binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00530 BindingDB Entry DOI: 10.7270/Q2W95DW9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50572410
(CHEMBL4869520) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237192
(CHEMBL4072947)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C19H24FN5O3S/c20-15-1-5-17(6-2-15)25-13-11-24(12-14-25)10-9-22-19(26)23-16-3-7-18(8-4-16)29(21,27)28/h1-8H,9-14H2,(H2,21,27,28)(H2,22,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm. |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50562067
(CHEMBL4749288) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as effect on intracellular calcium level by FLOU-4 dye based fluore... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00530 BindingDB Entry DOI: 10.7270/Q2W95DW9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50237179
(CHEMBL4097153)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-15(7-9-17)20-18(23)14-21-10-12-22(13-11-21)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,20,23)(H2,19,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50572400
(CHEMBL4856565) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM10887
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Concentration required for the inhibition of acetylcholinesterase |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50028010
(AD-810 | CHEBI:10127 | CI-912 | PD-110843 | Zonegr...)Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA7 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50249592
(CHEMBL4061179)Show SMILES CCCCCn1cc(-c2cn(nn2)C23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |TLB:10:13:16:20.18.19,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19| Show InChI InChI=1S/C30H34N4O2/c1-2-3-4-9-33-18-25(29(35)24-14-23(7-8-27(24)33)28-6-5-10-36-28)26-19-34(32-31-26)30-15-20-11-21(16-30)13-22(12-20)17-30/h5-8,10,14,18-22H,2-4,9,11-13,15-17H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells by competitive binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00530 BindingDB Entry DOI: 10.7270/Q2W95DW9 |
More data for this Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50006115
((R)-RETRO-THIORPHAN | (RETRO)N-(1-Mercaptomethyl-2...)Show InChI InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)/t10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of NEP 24.11 (unknown origin) by fluorometric assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00530 BindingDB Entry DOI: 10.7270/Q2W95DW9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50572407
(CHEMBL4851050)Show SMILES COC(=O)c1ccc(NCC(=O)NCc2ccc(cc2)S(N)(=O)=O)cc1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(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 PDB Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA7 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 7
(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 PDB Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 7 assessed as CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs ... |
Eur J Med Chem 156: 430-443 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.019 BindingDB Entry DOI: 10.7270/Q2542R9F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 7
(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 PDB Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 7
(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 PDB Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 by stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.8b00208 BindingDB Entry DOI: 10.7270/Q2Z89H2K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50237184
(CHEMBL4070147)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C19H22N4O4S/c20-28(26,27)17-8-6-16(7-9-17)21-18(24)14-22-10-12-23(13-11-22)19(25)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,24)(H2,20,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cells |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237179
(CHEMBL4097153)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-15(7-9-17)20-18(23)14-21-10-12-22(13-11-21)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,20,23)(H2,19,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50572415
(CHEMBL4857705) | 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 |
TBA
| Assay Description Inhibition of recombinant human CA7 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50572401
(CHEMBL4870207) | 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 |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10887
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50028010
(AD-810 | CHEBI:10127 | CI-912 | PD-110843 | Zonegr...)Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
TBA
| Assay Description Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50237171
(CHEMBL4083316)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C20H24N4O5S/c21-30(26,27)17-4-2-16(3-5-17)22-20(25)13-24-9-7-23(8-10-24)12-15-1-6-18-19(11-15)29-14-28-18/h1-6,11H,7-10,12-14H2,(H,22,25)(H2,21,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D4 in CHO cells |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237173
(CHEMBL4081575)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C21H27N5O5S/c22-32(29,30)19-8-6-18(7-9-19)24-20(27)23-10-11-25-12-14-26(15-13-25)21(28)31-16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H2,22,29,30)(H2,23,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237172
(CHEMBL4080804)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C17H21N5O3S/c18-26(24,25)15-6-4-14(5-7-15)20-17(23)13-21-9-11-22(12-10-21)16-3-1-2-8-19-16/h1-8H,9-13H2,(H,20,23)(H2,18,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50572405
(CHEMBL4865065)Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(cc2)C(F)(F)F)cc1 | 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 |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50334354
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237183
(CHEMBL1518113)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C19H24N4O3S/c20-27(25,26)18-8-6-17(7-9-18)21-19(24)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237197
(CHEMBL4080884)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H27N5O3S/c21-29(27,28)19-8-6-18(7-9-19)23-20(26)22-10-11-24-12-14-25(15-13-24)16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H2,21,27,28)(H2,22,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
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
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of [125I]RTI-55 binding to Serotonin transporter of rat caudate membranes |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237175
(CHEMBL4098919)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C21H27N5O5S/c22-32(28,29)18-4-2-17(3-5-18)24-21(27)23-7-8-25-9-11-26(12-10-25)14-16-1-6-19-20(13-16)31-15-30-19/h1-6,13H,7-12,14-15H2,(H2,22,28,29)(H2,23,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237191
(CHEMBL4099828)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C19H25N5O3S/c20-28(26,27)18-8-6-16(7-9-18)22-19(25)21-10-11-23-12-14-24(15-13-23)17-4-2-1-3-5-17/h1-9H,10-15H2,(H2,20,26,27)(H2,21,22,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50468618
(CHEMBL4280796)Show SMILES NS(=O)(=O)c1ccc(N\N=C\c2ccc(cc2)N2CCN(CC2)C(=O)c2ccco2)cc1 Show InChI InChI=1S/C22H23N5O4S/c23-32(29,30)20-9-5-18(6-10-20)25-24-16-17-3-7-19(8-4-17)26-11-13-27(14-12-26)22(28)21-2-1-15-31-21/h1-10,15-16,25H,11-14H2,(H2,23,29,30)/b24-16+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 7 assessed as CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs ... |
Eur J Med Chem 156: 430-443 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.019 BindingDB Entry DOI: 10.7270/Q2542R9F |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50001465
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of [3H]-Deltorphin 2 binding to mouse delta opioid receptor expressed in rat GH3 cell membranes by Cheng-Prusoff analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00530 BindingDB Entry DOI: 10.7270/Q2W95DW9 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50562065
(CHEMBL4745169)Show SMILES CCCCCn1cc(-c2nnc(o2)C23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells by competitive binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00530 BindingDB Entry DOI: 10.7270/Q2W95DW9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50237183
(CHEMBL1518113)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C19H24N4O3S/c20-27(25,26)18-8-6-17(7-9-18)21-19(24)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50572409
(CHEMBL4851043) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50237179
(CHEMBL4097153)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-15(7-9-17)20-18(23)14-21-10-12-22(13-11-21)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,20,23)(H2,19,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50001465
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of [3H]-Deltorphin 2 binding to mouse delta opioid receptor expressed in HEK293 cell membranes incubated for 60 mins by Cheng-Prusoff anal... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00530 BindingDB Entry DOI: 10.7270/Q2W95DW9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50572399
(CHEMBL4876551) | 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 |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50572415
(CHEMBL4857705) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237177
(CHEMBL4102291)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ncccn2)cc1 Show InChI InChI=1S/C17H23N7O3S/c18-28(26,27)15-4-2-14(3-5-15)22-17(25)21-8-9-23-10-12-24(13-11-23)16-19-6-1-7-20-16/h1-7H,8-13H2,(H2,18,26,27)(H2,21,22,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description In vitro binding to Tachykinin receptor 2 |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237176
(CHEMBL4084329)Show SMILES Cc1ccc(cc1)N1CCN(CCNC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C20H27N5O3S/c1-16-2-6-18(7-3-16)25-14-12-24(13-15-25)11-10-22-20(26)23-17-4-8-19(9-5-17)29(21,27)28/h2-9H,10-15H2,1H3,(H2,21,27,28)(H2,22,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50572413
(CHEMBL4867955) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01889 BindingDB Entry DOI: 10.7270/Q2ZW1QQR |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50237172
(CHEMBL4080804)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C17H21N5O3S/c18-26(24,25)15-6-4-14(5-7-15)20-17(23)13-21-9-11-22(12-10-21)16-3-1-2-8-19-16/h1-8H,9-13H2,(H,20,23)(H2,18,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237170
(CHEMBL4059623)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H31N5O3S/c27-35(33,34)24-13-11-23(12-14-24)29-26(32)28-15-16-30-17-19-31(20-18-30)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H2,27,33,34)(H2,28,29,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237174
(CHEMBL4074004)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C19H24ClN5O3S/c20-15-1-5-17(6-2-15)25-13-11-24(12-14-25)10-9-22-19(26)23-16-3-7-18(8-4-16)29(21,27)28/h1-8H,9-14H2,(H2,21,27,28)(H2,22,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50237194
(CHEMBL4091108)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H28N4O3S/c26-33(31,32)23-13-11-22(12-14-23)27-24(30)19-28-15-17-29(18-16-28)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,25H,15-19H2,(H,27,30)(H2,26,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237193
(CHEMBL4089446)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H29F2N5O3S/c27-21-5-1-19(2-6-21)25(20-3-7-22(28)8-4-20)33-17-15-32(16-18-33)14-13-30-26(34)31-23-9-11-24(12-10-23)37(29,35)36/h1-12,25H,13-18H2,(H2,29,35,36)(H2,30,31,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237184
(CHEMBL4070147)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C19H22N4O4S/c20-28(26,27)17-8-6-16(7-9-17)21-18(24)14-22-10-12-23(13-11-22)19(25)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,24)(H2,20,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |