BDBM82104 Investigational agent, 5
SMILES: NS(=O)(=O)c1nnc(NC(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
InChI Key: InChIKey=AFYZTZHCJDEWBD-LZFPZTGBSA-N
Data: 13 KI
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)) | BDBM82104 (Investigational agent, 5) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.30 | -11.9 | 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)) | BDBM82104 (Investigational agent, 5) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 4.70 | -11.2 | 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)) | BDBM82104 (Investigational agent, 5) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 7.80 | -10.9 | 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)) | BDBM82104 (Investigational agent, 5) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | 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 2 (Homo sapiens (Human)) | BDBM82104 (Investigational agent, 5) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney Curated by ChEMBL | Assay Description Inhibition of human CA2 | Eur J Med Chem 46: 1949-63 (2011) Article DOI: 10.1016/j.ejmech.2011.01.047 BindingDB Entry DOI: 10.7270/Q22808QQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIV (Homo sapiens (Human)) | BDBM82104 (Investigational agent, 5) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 15 | -10.5 | 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 4 (Homo sapiens (Human)) | BDBM82104 (Investigational agent, 5) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 30 | -10.1 | 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 6 (CA-VI) (Homo sapiens (Human)) | BDBM82104 (Investigational agent, 5) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 31 | -10.1 | 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 13 (CA XIII) (Homo sapiens (Human)) | BDBM82104 (Investigational agent, 5) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 39 | -9.93 | 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)) | BDBM82104 (Investigational agent, 5) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 45 | -9.85 | 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)) | BDBM82104 (Investigational agent, 5) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 135 | -9.21 | 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)) | BDBM82104 (Investigational agent, 5) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 810 | -8.17 | 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)) | BDBM82104 (Investigational agent, 5) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3.30E+5 | -4.67 | 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 |