Found 635 hits of ic50 for UniProtKB: P00915 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50252992
(CHEMBL4100496)Show SMILES Clc1ccc(cc1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16ClN5O2S2/c22-15-8-6-14(7-9-15)18-11-10-17(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i... |
Bioorg Med Chem 25: 3547-3554 (2017)
Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50252993
(CHEMBL4073678)Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16N6O4S2/c28-19(13-32-21-26-25-20(33-21)23-14-6-2-1-3-7-14)24-22-12-15-10-11-18(31-15)16-8-4-5-9-17(16)27(29)30/h1-12H,13H2,(H,23,25)(H,24,28)/b22-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i... |
Bioorg Med Chem 25: 3547-3554 (2017)
Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50252997
(CHEMBL4098116)Show SMILES [O-][N+](=O)c1cc(Cl)ccc1-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H15ClN6O4S2/c22-13-6-8-16(17(10-13)28(30)31)18-9-7-15(32-18)11-23-25-19(29)12-33-21-27-26-20(34-21)24-14-4-2-1-3-5-14/h1-11H,12H2,(H,24,26)(H,25,29)/b23-11+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i... |
Bioorg Med Chem 25: 3547-3554 (2017)
Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50258998
(CHEMBL4099344)Show InChI InChI=1S/C15H19N3O3S3/c19-14(9-24-15(22)17-18-3-5-23-6-4-18)16-8-11-1-2-12-13(7-11)21-10-20-12/h1-2,7H,3-6,8-10H2,(H,16,19)(H,17,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.288 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte carbonic anhydrase-1 |
Eur J Med Chem 125: 190-196 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50252994
(CHEMBL4082551)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16N6O4S2/c28-19(13-32-21-26-25-20(33-21)23-15-4-2-1-3-5-15)24-22-12-17-10-11-18(31-17)14-6-8-16(9-7-14)27(29)30/h1-12H,13H2,(H,23,25)(H,24,28)/b22-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i... |
Bioorg Med Chem 25: 3547-3554 (2017)
Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50252996
(CHEMBL4097972)Show SMILES Clc1ccc(-c2ccc(\C=N\NC(=O)CSc3nnc(Nc4ccccc4)s3)o2)c(Cl)c1 Show InChI InChI=1S/C21H15Cl2N5O2S2/c22-13-6-8-16(17(23)10-13)18-9-7-15(30-18)11-24-26-19(29)12-31-21-28-27-20(32-21)25-14-4-2-1-3-5-14/h1-11H,12H2,(H,25,27)(H,26,29)/b24-11+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i... |
Bioorg Med Chem 25: 3547-3554 (2017)
Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50258992
(CHEMBL4081323)Show InChI InChI=1S/C15H19N3O4S2/c19-14(9-24-15(23)17-18-3-5-20-6-4-18)16-8-11-1-2-12-13(7-11)22-10-21-12/h1-2,7H,3-6,8-10H2,(H,16,19)(H,17,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.346 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte carbonic anhydrase-1 |
Eur J Med Chem 125: 190-196 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50253005
(CHEMBL4076887)Show SMILES Clc1ccc(cc1Cl)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H15Cl2N5O2S2/c22-16-8-6-13(10-17(16)23)18-9-7-15(30-18)11-24-26-19(29)12-31-21-28-27-20(32-21)25-14-4-2-1-3-5-14/h1-11H,12H2,(H,25,27)(H,26,29)/b24-11+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i... |
Bioorg Med Chem 25: 3547-3554 (2017)
Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222054
((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-bromophenyl)acryloy...)Show SMILES Brc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 |r,c:23| Show InChI InChI=1S/C24H18BrNO3/c25-18-8-1-14(2-9-18)3-12-20(27)15-6-10-19(11-7-15)26-23(28)21-16-4-5-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-3+/t16-,17+,21-,22+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.442 | -12.8 | 0.466 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222051
((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-chlorophenyl)acrylo...)Show SMILES Clc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 |r,c:23| Show InChI InChI=1S/C24H18ClNO3/c25-18-8-1-14(2-9-18)3-12-20(27)15-6-10-19(11-7-15)26-23(28)21-16-4-5-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-3+/t16-,17+,21-,22+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.475 | -12.7 | 0.506 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50258995
(CHEMBL4060713)Show SMILES O=C(CSC(=S)NN1CCN(CC1)c1ccccc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C21H24N4O3S2/c26-20(22-13-16-6-7-18-19(12-16)28-15-27-18)14-30-21(29)23-25-10-8-24(9-11-25)17-4-2-1-3-5-17/h1-7,12H,8-11,13-15H2,(H,22,26)(H,23,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.518 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte carbonic anhydrase-1 |
Eur J Med Chem 125: 190-196 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50258993
(CHEMBL4062231)Show InChI InChI=1S/C16H22N4O3S2/c1-19-4-6-20(7-5-19)18-16(24)25-10-15(21)17-9-12-2-3-13-14(8-12)23-11-22-13/h2-3,8H,4-7,9-11H2,1H3,(H,17,21)(H,18,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.535 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte carbonic anhydrase-1 |
Eur J Med Chem 125: 190-196 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222050
((3aR,4S,7R,7aS)-2-(4-((E)-3-(o-tolyl)acryloyl)phen...)Show SMILES Cc1ccccc1\C=C\C(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,c:26| Show InChI InChI=1S/C25H21NO3/c1-15-4-2-3-5-16(15)10-13-21(27)17-8-11-20(12-9-17)26-24(28)22-18-6-7-19(14-18)23(22)25(26)29/h2-13,18-19,22-23H,14H2,1H3/b13-10+/t18-,19+,22-,23+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.529 | -12.6 | 0.537 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50258997
(CHEMBL4089189)Show InChI InChI=1S/C16H21N3O3S2/c20-15(10-24-16(23)18-19-6-2-1-3-7-19)17-9-12-4-5-13-14(8-12)22-11-21-13/h4-5,8H,1-3,6-7,9-11H2,(H,17,20)(H,18,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.556 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte carbonic anhydrase-1 |
Eur J Med Chem 125: 190-196 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50253004
(CHEMBL4072122)Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16N6O4S2/c28-19(13-32-21-26-25-20(33-21)23-15-6-2-1-3-7-15)24-22-12-17-9-10-18(31-17)14-5-4-8-16(11-14)27(29)30/h1-12H,13H2,(H,23,25)(H,24,28)/b22-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i... |
Bioorg Med Chem 25: 3547-3554 (2017)
Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50252991
(CHEMBL4064130)Show SMILES Clc1cccc(c1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16ClN5O2S2/c22-15-6-4-5-14(11-15)18-10-9-17(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-16-7-2-1-3-8-16/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i... |
Bioorg Med Chem 25: 3547-3554 (2017)
Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222056
((3aR,4S,7R,7aS)-2-(4-((E)-3-(2-bromophenyl)acryloy...)Show SMILES Brc1ccccc1\C=C\C(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,c:26| Show InChI InChI=1S/C24H18BrNO3/c25-19-4-2-1-3-14(19)9-12-20(27)15-7-10-18(11-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-9+/t16-,17+,21-,22+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.405 | -12.8 | 0.573 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222049
((3aR,4S,7R,7aS)-2-(4-((E)-3-(m-tolyl)acryloyl)phen...)Show SMILES Cc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1 |r,c:24| Show InChI InChI=1S/C25H21NO3/c1-15-3-2-4-16(13-15)5-12-21(27)17-8-10-20(11-9-17)26-24(28)22-18-6-7-19(14-18)23(22)25(26)29/h2-13,18-19,22-23H,14H2,1H3/b12-5+/t18-,19+,22-,23+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.523 | -12.7 | 0.579 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222055
((3aR,4S,7R,7aS)-2-(4-((E)-3-(3-bromophenyl)acryloy...)Show SMILES Brc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1 |r,c:24| Show InChI InChI=1S/C24H18BrNO3/c25-18-3-1-2-14(12-18)4-11-20(27)15-7-9-19(10-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b11-4+/t16-,17+,21-,22+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.501 | -12.7 | 0.597 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222048
((3aR,4S,7R,7aS)-2-(4-((E)-3-(p-tolyl)acryloyl)phen...)Show SMILES Cc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 |r,c:23| Show InChI InChI=1S/C25H21NO3/c1-15-2-4-16(5-3-15)6-13-21(27)17-9-11-20(12-10-17)26-24(28)22-18-7-8-19(14-18)23(22)25(26)29/h2-13,18-19,22-23H,14H2,1H3/b13-6+/t18-,19+,22-,23+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.605 | -12.6 | 0.597 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222047
((3aR,4S,7R,7aS)-2-(4-((E)-3-(3-methoxyphenyl)acryl...)Show SMILES COc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1 |r,c:25| Show InChI InChI=1S/C25H21NO4/c1-30-20-4-2-3-15(13-20)5-12-21(27)16-8-10-19(11-9-16)26-24(28)22-17-6-7-18(14-17)23(22)25(26)29/h2-13,17-18,22-23H,14H2,1H3/b12-5+/t17-,18+,22-,23+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.469 | -12.7 | 0.606 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222059
((3aR,4S,7R,7aS)-2-(4-((E)-3-(pyridin-4-yl)acryloyl...)Show SMILES O=C(\C=C\c1ccncc1)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,c:25| Show InChI InChI=1S/C23H18N2O3/c26-19(8-1-14-9-11-24-12-10-14)15-4-6-18(7-5-15)25-22(27)20-16-2-3-17(13-16)21(20)23(25)28/h1-12,16-17,20-21H,13H2/b8-1+/t16-,17+,20-,21+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.549 | -12.6 | 0.611 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222052
((3aR,4S,7R,7aS)-2-(4-((E)-3-(3-chlorophenyl)acrylo...)Show SMILES Clc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1 |r,c:24| Show InChI InChI=1S/C24H18ClNO3/c25-18-3-1-2-14(12-18)4-11-20(27)15-7-9-19(10-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b11-4+/t16-,17+,21-,22+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.518 | -12.7 | 0.619 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50258999
(CHEMBL4082586)Show SMILES COc1ccc(cc1)N1CCN(CC1)NC(=S)SCC(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H26N4O4S2/c1-28-18-5-3-17(4-6-18)25-8-10-26(11-9-25)24-22(31)32-14-21(27)23-13-16-2-7-19-20(12-16)30-15-29-19/h2-7,12H,8-11,13-15H2,1H3,(H,23,27)(H,24,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.624 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte carbonic anhydrase-1 |
Eur J Med Chem 125: 190-196 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222046
((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-methoxyphenyl)acryl...)Show SMILES COc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 |r,c:24| Show InChI InChI=1S/C25H21NO4/c1-30-20-11-2-15(3-12-20)4-13-21(27)16-7-9-19(10-8-16)26-24(28)22-17-5-6-18(14-17)23(22)25(26)29/h2-13,17-18,22-23H,14H2,1H3/b13-4+/t17-,18+,22-,23+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.513 | -12.7 | 0.639 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222053
((3aR,4S,7R,7aS)-2-(4-((E)-3-(2-chlorophenyl)acrylo...)Show SMILES Clc1ccccc1\C=C\C(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,c:26| Show InChI InChI=1S/C24H18ClNO3/c25-19-4-2-1-3-14(19)9-12-20(27)15-7-10-18(11-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-9+/t16-,17+,21-,22+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.603 | -12.6 | 0.650 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222057
((3aR,4S,7R,7aS)-2-(4-((E)-3-(furan-2-yl)acryloyl)p...)Show SMILES O=C(\C=C\c1ccco1)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,c:24| Show InChI InChI=1S/C22H17NO4/c24-18(10-9-17-2-1-11-27-17)13-5-7-16(8-6-13)23-21(25)19-14-3-4-15(12-14)20(19)22(23)26/h1-11,14-15,19-20H,12H2/b10-9+/t14-,15+,19-,20+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.595 | -12.6 | 0.655 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50258994
(CHEMBL4072105)Show InChI InChI=1S/C17H24N4O3S2/c1-2-20-5-7-21(8-6-20)19-17(25)26-11-16(22)18-10-13-3-4-14-15(9-13)24-12-23-14/h3-4,9H,2,5-8,10-12H2,1H3,(H,18,22)(H,19,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.677 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte carbonic anhydrase-1 |
Eur J Med Chem 125: 190-196 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50258996
(CHEMBL4069396)Show SMILES O=C(CSC(=S)NN1CCN(CC1)c1ncccn1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C19H22N6O3S2/c26-17(22-11-14-2-3-15-16(10-14)28-13-27-15)12-30-19(29)23-25-8-6-24(7-9-25)18-20-4-1-5-21-18/h1-5,10H,6-9,11-13H2,(H,22,26)(H,23,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.699 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte carbonic anhydrase-1 |
Eur J Med Chem 125: 190-196 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222058
((3aR,4S,7R,7aS)-2-(4-((E)-3-(thiophen-2-yl)acryloy...)Show SMILES O=C(\C=C\c1cccs1)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O |r,c:24| Show InChI InChI=1S/C22H17NO3S/c24-18(10-9-17-2-1-11-27-17)13-5-7-16(8-6-13)23-21(25)19-14-3-4-15(12-14)20(19)22(23)26/h1-11,14-15,19-20H,12H2/b10-9+/t14-,15+,19-,20+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.636 | -12.5 | 0.711 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50252998
(CHEMBL4105008)Show SMILES Clc1ccccc1-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16ClN5O2S2/c22-17-9-5-4-8-16(17)18-11-10-15(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue i... |
Bioorg Med Chem 25: 3547-3554 (2017)
Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50258990
(CHEMBL4090426)Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)NC(=S)SCC(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C21H23N5O5S2/c27-20(22-12-15-1-6-18-19(11-15)31-14-30-18)13-33-21(32)23-25-9-7-24(8-10-25)16-2-4-17(5-3-16)26(28)29/h1-6,11H,7-10,12-14H2,(H,22,27)(H,23,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.903 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte carbonic anhydrase-1 |
Eur J Med Chem 125: 190-196 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29 |
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
| 0.747 | -12.4 | 0.996 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50258991
(CHEMBL4061017)Show InChI InChI=1S/C17H23N3O3S2/c1-12-4-6-20(7-5-12)19-17(24)25-10-16(21)18-9-13-2-3-14-15(8-13)23-11-22-14/h2-3,8,12H,4-7,9-11H2,1H3,(H,18,21)(H,19,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte carbonic anhydrase-1 |
Eur J Med Chem 125: 190-196 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50005000
(CHEMBL2392425)Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1\NC(=O)\C(S1)=C\c1cc(O)ccc1Br Show InChI InChI=1S/C16H12BrN3O4S2/c17-13-6-3-11(21)7-9(13)8-14-15(22)20-16(25-14)19-10-1-4-12(5-2-10)26(18,23)24/h1-8,21H,(H2,18,23,24)(H,19,20,22)/b14-8- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of full length carbonic anhydrase-1 in human erythrocytes |
Bioorg Med Chem Lett 23: 3496-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.048 BindingDB Entry DOI: 10.7270/Q2GH9KFD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50004961
(CHEMBL2392428)Show SMILES CC1=NN(C(=O)\C1=C/C=C/c1ccccc1)c1ccc(cc1)S(N)(=O)=O |t:1| Show InChI InChI=1S/C19H17N3O3S/c1-14-18(9-5-8-15-6-3-2-4-7-15)19(23)22(21-14)16-10-12-17(13-11-16)26(20,24)25/h2-13H,1H3,(H2,20,24,25)/b8-5+,18-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of full length carbonic anhydrase-1 in human erythrocytes |
Bioorg Med Chem Lett 23: 3496-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.048 BindingDB Entry DOI: 10.7270/Q2GH9KFD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50570981
(CHEMBL4869398)Show SMILES COc1ccc(OC)c(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cc(F)ccc1F |c:13| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112923 BindingDB Entry DOI: 10.7270/Q21N852G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50570982
(CHEMBL4849196)Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cc(F)ccc1F |c:13| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112923 BindingDB Entry DOI: 10.7270/Q21N852G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50570983
(CHEMBL4857592)Show SMILES COc1cccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cc(F)cc(F)c2)c1OC |c:9| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112923 BindingDB Entry DOI: 10.7270/Q21N852G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50570984
(CHEMBL4847613)Show SMILES COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cc(F)cc(F)c2)c(OC)c1 |c:8| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112923 BindingDB Entry DOI: 10.7270/Q21N852G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50570985
(CHEMBL4872387)Show SMILES COc1ccc(OC)c(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cc(F)cc(F)c1 |c:13| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112923 BindingDB Entry DOI: 10.7270/Q21N852G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50570979
(CHEMBL4876038)Show SMILES COc1cccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cc(F)ccc2F)c1OC |c:9| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50570980
(CHEMBL4847624)Show SMILES COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cc(F)ccc2F)c(OC)c1 |c:8| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50570981
(CHEMBL4869398)Show SMILES COc1ccc(OC)c(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cc(F)ccc1F |c:13| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50570982
(CHEMBL4849196)Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cc(F)ccc1F |c:13| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50570983
(CHEMBL4857592)Show SMILES COc1cccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cc(F)cc(F)c2)c1OC |c:9| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50570984
(CHEMBL4847613)Show SMILES COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cc(F)cc(F)c2)c(OC)c1 |c:8| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50570985
(CHEMBL4872387)Show SMILES COc1ccc(OC)c(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cc(F)cc(F)c1 |c:13| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50570986
(CHEMBL4864555)Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cc(F)cc(F)c1 |c:13| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50570979
(CHEMBL4876038)Show SMILES COc1cccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cc(F)ccc2F)c1OC |c:9| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112923 BindingDB Entry DOI: 10.7270/Q21N852G |
More data for this Ligand-Target Pair | |