BDBM50233593 CHEMBL4069416
SMILES: COc1c(Br)c(Br)c(C[C@@H]2C[C@H]2C(O)=O)c(Br)c1OC
InChI Key: InChIKey=MLKYCVYECBSALL-NTSWFWBYSA-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 1 (Homo sapiens (Human)) | BDBM50233593 (CHEMBL4069416) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Atat£rk University Curated by ChEMBL | Assay Description Inhibition of human CA1 using para-nitrophenylacetate as substrate measured over 3 mins by UV-vis spectrophotometric method | J Med Chem 58: 640-50 (2015) BindingDB Entry DOI: 10.7270/Q2PR7Z6B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50233593 (CHEMBL4069416) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Atat£rk University Curated by ChEMBL | Assay Description Inhibition of human CA2 using para-nitrophenylacetate as substrate measured over 3 mins by UV-vis spectrophotometric method | J Med Chem 58: 640-50 (2015) BindingDB Entry DOI: 10.7270/Q2PR7Z6B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50233593 (CHEMBL4069416) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Atat£rk University Curated by ChEMBL | Assay Description Inhibition of human CA12 by stopped-flow CO2 hydration method | J Med Chem 58: 640-50 (2015) BindingDB Entry DOI: 10.7270/Q2PR7Z6B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50233593 (CHEMBL4069416) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Atat£rk University Curated by ChEMBL | Assay Description Inhibition of human CA9 by stopped-flow CO2 hydration method | J Med Chem 58: 640-50 (2015) BindingDB Entry DOI: 10.7270/Q2PR7Z6B | |||||||||||
More data for this Ligand-Target Pair |