BDBM50390683 CHEMBL2070209
SMILES: COC(=O)c1cc(n[nH]1)-c1cn(Cc2ccccc2)c2ccccc12
InChI Key: InChIKey=UGSLTXDALPGIBI-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)) | BDBM50390683 (CHEMBL2070209) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari Curated by ChEMBL | Assay Description Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique | Bioorg Med Chem Lett 22: 5801-6 (2012) Article DOI: 10.1016/j.bmcl.2012.07.094 BindingDB Entry DOI: 10.7270/Q2319X0G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50390683 (CHEMBL2070209) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari Curated by ChEMBL | Assay Description Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique | Bioorg Med Chem Lett 22: 5801-6 (2012) Article DOI: 10.1016/j.bmcl.2012.07.094 BindingDB Entry DOI: 10.7270/Q2319X0G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50390683 (CHEMBL2070209) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari Curated by ChEMBL | Assay Description Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique | Bioorg Med Chem Lett 22: 5801-6 (2012) Article DOI: 10.1016/j.bmcl.2012.07.094 BindingDB Entry DOI: 10.7270/Q2319X0G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50390683 (CHEMBL2070209) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari Curated by ChEMBL | Assay Description Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique | Bioorg Med Chem Lett 22: 5801-6 (2012) Article DOI: 10.1016/j.bmcl.2012.07.094 BindingDB Entry DOI: 10.7270/Q2319X0G | |||||||||||
More data for this Ligand-Target Pair |