Found 6 hits for monomerid = 50428437 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 12
(Homo sapiens (Human)) | BDBM50428437
((+)-CALANOLIDE B)Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20| Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1539-43 (2013)
Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428437
((+)-CALANOLIDE B)Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20| Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1539-43 (2013)
Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50428437
((+)-CALANOLIDE B)Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20| Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 8.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1539-43 (2013)
Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50428437
((+)-CALANOLIDE B)Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20| Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 9.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1539-43 (2013)
Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 13 (CA XIII)
(Homo sapiens (Human)) | BDBM50428437
((+)-CALANOLIDE B)Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20| Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1539-43 (2013)
Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50428437
((+)-CALANOLIDE B)Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20| Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 5.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1539-43 (2013)
Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS |
More data for this Ligand-Target Pair | |