BDBM82103 Investigational agent, 4
SMILES: NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
InChI Key: InChIKey=NBKDQESIWDNDOT-LZFPZTGBSA-N
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 7 (Homo sapiens (Human)) | BDBM82103 (Investigational agent, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 0.5 | -12.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Istituto di Biostrutture e Bioimmagini-CNR | Assay Description Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly... | Chem Biol Drug Des 74: 317-21 (2009) Article DOI: 10.1111/j.1747-0285.2009.00857.x BindingDB Entry DOI: 10.7270/Q2833QHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM82103 (Investigational agent, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 0.900 | -12.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Istituto di Biostrutture e Bioimmagini-CNR | Assay Description Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly... | Chem Biol Drug Des 74: 317-21 (2009) Article DOI: 10.1111/j.1747-0285.2009.00857.x BindingDB Entry DOI: 10.7270/Q2833QHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM82103 (Investigational agent, 4) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 4.90 | -11.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Istituto di Biostrutture e Bioimmagini-CNR | Assay Description Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly... | Chem Biol Drug Des 74: 317-21 (2009) Article DOI: 10.1111/j.1747-0285.2009.00857.x BindingDB Entry DOI: 10.7270/Q2833QHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM82103 (Investigational agent, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 10 | -10.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Istituto di Biostrutture e Bioimmagini-CNR | Assay Description Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly... | Chem Biol Drug Des 74: 317-21 (2009) Article DOI: 10.1111/j.1747-0285.2009.00857.x BindingDB Entry DOI: 10.7270/Q2833QHP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic Anhydrase XIV (Homo sapiens (Human)) | BDBM82103 (Investigational agent, 4) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 13 | -10.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Istituto di Biostrutture e Bioimmagini-CNR | Assay Description Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly... | Chem Biol Drug Des 74: 317-21 (2009) Article DOI: 10.1111/j.1747-0285.2009.00857.x BindingDB Entry DOI: 10.7270/Q2833QHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM82103 (Investigational agent, 4) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 34 | -10.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Istituto di Biostrutture e Bioimmagini-CNR | Assay Description Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly... | Chem Biol Drug Des 74: 317-21 (2009) Article DOI: 10.1111/j.1747-0285.2009.00857.x BindingDB Entry DOI: 10.7270/Q2833QHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VB (Homo sapiens (Human)) | BDBM82103 (Investigational agent, 4) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 34 | -10.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Istituto di Biostrutture e Bioimmagini-CNR | Assay Description Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly... | Chem Biol Drug Des 74: 317-21 (2009) Article DOI: 10.1111/j.1747-0285.2009.00857.x BindingDB Entry DOI: 10.7270/Q2833QHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human)) | BDBM82103 (Investigational agent, 4) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 46 | -9.83 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Istituto di Biostrutture e Bioimmagini-CNR | Assay Description Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly... | Chem Biol Drug Des 74: 317-21 (2009) Article DOI: 10.1111/j.1747-0285.2009.00857.x BindingDB Entry DOI: 10.7270/Q2833QHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM82103 (Investigational agent, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 56 | -9.72 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Istituto di Biostrutture e Bioimmagini-CNR | Assay Description Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly... | Chem Biol Drug Des 74: 317-21 (2009) Article DOI: 10.1111/j.1747-0285.2009.00857.x BindingDB Entry DOI: 10.7270/Q2833QHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase VA (Homo sapiens (Human)) | BDBM82103 (Investigational agent, 4) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 78 | -9.53 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Istituto di Biostrutture e Bioimmagini-CNR | Assay Description Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly... | Chem Biol Drug Des 74: 317-21 (2009) Article DOI: 10.1111/j.1747-0285.2009.00857.x BindingDB Entry DOI: 10.7270/Q2833QHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM82103 (Investigational agent, 4) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 850 | -8.14 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Istituto di Biostrutture e Bioimmagini-CNR | Assay Description Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly... | Chem Biol Drug Des 74: 317-21 (2009) Article DOI: 10.1111/j.1747-0285.2009.00857.x BindingDB Entry DOI: 10.7270/Q2833QHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase III (Homo sapiens (Human)) | BDBM82103 (Investigational agent, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 3.10E+5 | -4.70 | n/a | n/a | n/a | n/a | n/a | 7.5 | 20 |
Istituto di Biostrutture e Bioimmagini-CNR | Assay Description Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly... | Chem Biol Drug Des 74: 317-21 (2009) Article DOI: 10.1111/j.1747-0285.2009.00857.x BindingDB Entry DOI: 10.7270/Q2833QHP | |||||||||||
More data for this Ligand-Target Pair |