BDBM50205564 CHEMBL3908650
SMILES: CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccc(cc1)-c1nnn[nH]1
InChI Key: InChIKey=MXXHAOFWHDYGRH-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 7 (Homo sapiens (Human)) | BDBM50205564 (CHEMBL3908650) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | 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 carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr... | Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50205564 (CHEMBL3908650) | 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 | >1.00E+4 | 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 carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr... | Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM50205564 (CHEMBL3908650) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | 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 carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr... | Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50205564 (CHEMBL3908650) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | 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 carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr... | Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1 | |||||||||||
More data for this Ligand-Target Pair |