BDBM50134968 CHEMBL3746569
SMILES: NCCS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1
InChI Key: InChIKey=JFTUOYOFILGNQB-UHFFFAOYSA-N
Data: 2 IC50
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)) | BDBM50134968 (CHEMBL3746569) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 | Bioorg Med Chem Lett 26: 186-93 (2015) BindingDB Entry DOI: 10.7270/Q26M38NN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human)) | BDBM50134968 (CHEMBL3746569) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG Curated by ChEMBL | Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis | Bioorg Med Chem Lett 26: 186-93 (2015) BindingDB Entry DOI: 10.7270/Q26M38NN | |||||||||||
More data for this Ligand-Target Pair |