BDBM103913 US8562945, 248
SMILES: NOOSc1ccc(NC(=S)NCCCCC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1
InChI Key: InChIKey=NQYSYCCBOQYRJO-UHFFFAOYSA-N
Data: 2 IC50
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 2 (Homo sapiens (Human)) | BDBM103913 (US8562945, 248) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 770 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Molecular Insight Pharmaceuticals, Inc. US Patent | Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito. | US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM103913 (US8562945, 248) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 260 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Molecular Insight Pharmaceuticals, Inc. US Patent | Assay Description Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito. | US Patent US8562945 (2013) BindingDB Entry DOI: 10.7270/Q2XP73KD | |||||||||||
More data for this Ligand-Target Pair |