BDBM239161 α-CA inhibitor, 9
SMILES: CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC([C@@H](O)C(O)[C@@H]6O[C@@H]6OC[C@@H](O)[C@H](O)C6O[C@@H]6OC(O)[C@H](O)[C@H](O)C6O)C(O)=O)[C@](C)(CO)C5CC[C@@]34C)C2C1
InChI Key: InChIKey=QKBICHOHZDWTSC-WCZWIZFYSA-N
Data: 5 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 2 (Homo sapiens (Human)) | BDBM239161 (α-CA inhibitor, 9) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ege University | Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect... | J Enzyme Inhib Med Chem 28: 412-7 (2013) Article DOI: 10.3109/14756366.2011.651464 BindingDB Entry DOI: 10.7270/Q2W66JQ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM239161 (α-CA inhibitor, 9) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ege University | Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect... | J Enzyme Inhib Med Chem 28: 412-7 (2013) Article DOI: 10.3109/14756366.2011.651464 BindingDB Entry DOI: 10.7270/Q2W66JQ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 3 (CA III) (Bos taurus (Cattle)) | BDBM239161 (α-CA inhibitor, 9) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ege University | Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect... | J Enzyme Inhib Med Chem 28: 412-7 (2013) Article DOI: 10.3109/14756366.2011.651464 BindingDB Entry DOI: 10.7270/Q2W66JQ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM239161 (α-CA inhibitor, 9) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ege University | Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect... | J Enzyme Inhib Med Chem 28: 412-7 (2013) Article DOI: 10.3109/14756366.2011.651464 BindingDB Entry DOI: 10.7270/Q2W66JQ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human)) | BDBM239161 (α-CA inhibitor, 9) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 7.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Ege University | Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect... | J Enzyme Inhib Med Chem 28: 412-7 (2013) Article DOI: 10.3109/14756366.2011.651464 BindingDB Entry DOI: 10.7270/Q2W66JQ2 | |||||||||||
More data for this Ligand-Target Pair |