BDBM50258997 CHEMBL4089189
SMILES: O=C(CSC(=S)NN1CCCCC1)NCc1ccc2OCOc2c1
InChI Key: InChIKey=BBTCKEXHWZTMNX-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50258997 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)) | 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 UniProtKB/TrEMBL
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 2
(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
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.651 | 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-2 |
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 | |