BDBM50180236 CHEMBL3814449
SMILES: CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)C2C3=C(CC(C)(C)CC3=O)N(C3=C2C(=O)CC(C)(C)C3)c2ccc(cc2)C(=O)Nc2nnc(s2)S(N)(=O)=O)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O
InChI Key: InChIKey=NLRHBVZSXCEKMK-UHFFFAOYSA-N
Data: 4 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)) | BDBM50180236 (CHEMBL3814449) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University Curated by ChEMBL | Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 24: 3548-55 (2016) BindingDB Entry DOI: 10.7270/Q2N29ZVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50180236 (CHEMBL3814449) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University Curated by ChEMBL | Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 24: 3548-55 (2016) BindingDB Entry DOI: 10.7270/Q2N29ZVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50180236 (CHEMBL3814449) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University Curated by ChEMBL | Assay Description Inhibition of human recombinant CA1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 24: 3548-55 (2016) BindingDB Entry DOI: 10.7270/Q2N29ZVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM50180236 (CHEMBL3814449) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 248 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University Curated by ChEMBL | Assay Description Inhibition of human recombinant CA4 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay | Bioorg Med Chem 24: 3548-55 (2016) BindingDB Entry DOI: 10.7270/Q2N29ZVD | |||||||||||
More data for this Ligand-Target Pair |